Jobs Dashboard

ID Job ID PDB ID Created At Updated At Priority Active Organic Validator Hotkey Best Hotkey Hotkeys S3 Links System Config Best Loss Best Loss At Update Interval Updated Count Max Time No Improvement Epsilon Min Updates Best Checkpoints
15881 344e2bff-0572-43ff-ad9f-c2deffcb3047 3lkp 2025-01-31 16:21:33 2025-01-31 19:04:40 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo
['5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf']
[ "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lkp/5F4tQyWr/2025-01-31_16-21-32/3lkp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lkp/5F4tQyWr/2025-01-31_16-21-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lkp/5F4tQyWr/2025-01-31_16-21-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lkp/5F4tQyWr/2025-01-31_16-21-32/3lkp.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 283.67}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 283.67 }, "water": "charmm36/water.xml" }
 -36985.7695 2025-01-31 18:10:39 600 5 1500 1.000000 5
['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5ExkyH3g/2025-01-31_19-04-46/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5HN5q9Fa/2025-01-31_19-04-47/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5CULginL/2025-01-31_19-04-47/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5GjSmYTj/2025-01-31_19-04-47/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5EEvdk6d/2025-01-31_19-04-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5CD6SYMs/2025-01-31_19-04-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5DXvZ6kW/2025-01-31_19-04-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5EUX8Kuc/2025-01-31_19-04-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5ELBjjiT/2025-01-31_19-04-49/md_0_1_old.cpt']
[ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5ExkyH3g/2025-01-31_19-04-46/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5HN5q9Fa/2025-01-31_19-04-47/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5CULginL/2025-01-31_19-04-47/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5GjSmYTj/2025-01-31_19-04-47/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5EEvdk6d/2025-01-31_19-04-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5CD6SYMs/2025-01-31_19-04-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5DXvZ6kW/2025-01-31_19-04-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5EUX8Kuc/2025-01-31_19-04-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lkp/5F4tQyWr/5ELBjjiT/2025-01-31_19-04-49/md_0_1_old.cpt" ]
15903 4fd50c98-d1a3-416e-820d-8bf33eb53186 6dny 2025-01-31 16:20:45 2025-01-31 18:09:51 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2
['5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9', '5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg']
[ "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9", "5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dny/5F2CsUDV/2025-01-31_16-20-42/6dny.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dny/5F2CsUDV/2025-01-31_16-20-42/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dny/5F2CsUDV/2025-01-31_16-20-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dny/5F2CsUDV/2025-01-31_16-20-42/6dny.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 210.96}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 210.96 }, "water": "amber14/tip3pfb.xml" }
 -176.8515 2025-01-31 17:18:23 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5ESEfcCx/2025-01-31_18-09-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5G6mzcBY/2025-01-31_18-09-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5FdvaRoH/2025-01-31_18-09-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5GYVQABL/2025-01-31_18-10-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5Gdn7dSR/2025-01-31_18-10-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5DFWAKb5/2025-01-31_18-10-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5CD6SYMs/2025-01-31_18-10-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5G9vwUF5/2025-01-31_18-10-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5C5BrEUX/2025-01-31_18-10-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5GBxk4YT/2025-01-31_18-10-01/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5ESEfcCx/2025-01-31_18-09-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5G6mzcBY/2025-01-31_18-09-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5FdvaRoH/2025-01-31_18-09-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5GYVQABL/2025-01-31_18-10-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5Gdn7dSR/2025-01-31_18-10-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5DFWAKb5/2025-01-31_18-10-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5CD6SYMs/2025-01-31_18-10-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5G9vwUF5/2025-01-31_18-10-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5C5BrEUX/2025-01-31_18-10-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6dny/5F2CsUDV/5GBxk4YT/2025-01-31_18-10-01/md_0_1.cpt" ]
15902 dd88cbdd-bcf6-4660-9595-cc8a39f278a7 2ns0 2025-01-31 16:17:41 2025-01-31 18:08:34 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG
['5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX']
[ "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ns0/5F2CsUDV/2025-01-31_16-17-38/2ns0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ns0/5F2CsUDV/2025-01-31_16-17-38/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ns0/5F2CsUDV/2025-01-31_16-17-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ns0/5F2CsUDV/2025-01-31_16-17-38/2ns0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 220.43}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 220.43 }, "water": "amber14/tip3pfb.xml" }
 -13253.4775 2025-01-31 17:16:03 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5Grg3vXe/2025-01-31_18-08-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5G9WyBQN/2025-01-31_18-08-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5Ew6RyYq/2025-01-31_18-08-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5DU7YwrR/2025-01-31_18-08-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5E9rJadE/2025-01-31_18-08-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5CAz8emp/2025-01-31_18-08-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5FRHk95S/2025-01-31_18-08-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5GxjqYXt/2025-01-31_18-08-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5HYVRNRE/2025-01-31_18-08-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5H3NbTt2/2025-01-31_18-08-44/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5Grg3vXe/2025-01-31_18-08-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5G9WyBQN/2025-01-31_18-08-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5Ew6RyYq/2025-01-31_18-08-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5DU7YwrR/2025-01-31_18-08-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5E9rJadE/2025-01-31_18-08-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5CAz8emp/2025-01-31_18-08-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5FRHk95S/2025-01-31_18-08-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5GxjqYXt/2025-01-31_18-08-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5HYVRNRE/2025-01-31_18-08-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ns0/5F2CsUDV/5H3NbTt2/2025-01-31_18-08-44/md_0_1_old.cpt" ]
15901 a28f35b4-4a5f-4720-a45c-243fdedac393 3po0 2025-01-31 16:10:42 2025-01-31 18:07:19 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ
['5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC']
[ "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3po0/5F2CsUDV/2025-01-31_16-10-39/3po0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3po0/5F2CsUDV/2025-01-31_16-10-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3po0/5F2CsUDV/2025-01-31_16-10-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3po0/5F2CsUDV/2025-01-31_16-10-39/3po0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 253.61}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 253.61 }, "water": "amber14/tip3pfb.xml" }
 -2801.1267 2025-01-31 17:40:34 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5D4pv1fQ/2025-01-31_18-07-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5Gb5EGGA/2025-01-31_18-07-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5EEy7nWM/2025-01-31_18-07-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5HonwvyF/2025-01-31_18-07-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5HZ1iqya/2025-01-31_18-07-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5GNeDT2Z/2025-01-31_18-07-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5ES6G8x2/2025-01-31_18-07-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5HdFjgzv/2025-01-31_18-07-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5Cd59oQs/2025-01-31_18-07-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5EhxUCpu/2025-01-31_18-07-29/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5D4pv1fQ/2025-01-31_18-07-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5Gb5EGGA/2025-01-31_18-07-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5EEy7nWM/2025-01-31_18-07-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5HonwvyF/2025-01-31_18-07-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5HZ1iqya/2025-01-31_18-07-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5GNeDT2Z/2025-01-31_18-07-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5ES6G8x2/2025-01-31_18-07-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5HdFjgzv/2025-01-31_18-07-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5Cd59oQs/2025-01-31_18-07-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3po0/5F2CsUDV/5EhxUCpu/2025-01-31_18-07-29/md_0_1.cpt" ]
15900 cfe20d86-60c5-4f9e-bba7-eb0cd05c0831 2v7r 2025-01-31 16:10:33 2025-01-31 18:06:03 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ
['5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg']
[ "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v7r/5F2CsUDV/2025-01-31_16-10-31/2v7r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v7r/5F2CsUDV/2025-01-31_16-10-31/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v7r/5F2CsUDV/2025-01-31_16-10-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v7r/5F2CsUDV/2025-01-31_16-10-31/2v7r.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 373.72}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 373.72 }, "water": "amber14/tip3pfb.xml" }
 -5156.6318 2025-01-31 17:12:26 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5CoEdgdk/2025-01-31_18-06-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5C8aeZq1/2025-01-31_18-06-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5H5wXPTT/2025-01-31_18-06-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5DP14rou/2025-01-31_18-06-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5F9nfJQE/2025-01-31_18-06-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5FFFNMin/2025-01-31_18-06-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5FkBB721/2025-01-31_18-06-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5HKMcnD5/2025-01-31_18-06-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5CMHnFiW/2025-01-31_18-06-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5GeHm4rw/2025-01-31_18-06-14/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5CoEdgdk/2025-01-31_18-06-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5C8aeZq1/2025-01-31_18-06-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5H5wXPTT/2025-01-31_18-06-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5DP14rou/2025-01-31_18-06-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5F9nfJQE/2025-01-31_18-06-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5FFFNMin/2025-01-31_18-06-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5FkBB721/2025-01-31_18-06-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5HKMcnD5/2025-01-31_18-06-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5CMHnFiW/2025-01-31_18-06-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2v7r/5F2CsUDV/5GeHm4rw/2025-01-31_18-06-14/md_0_1.cpt" ]
15899 cfa37820-c15d-4ab6-8047-eb2b7e02afc2 6b6r 2025-01-31 16:09:17 2025-01-31 21:52:55 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
['5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5D7CeVRYKi6ANm5zKHGViZJrgXfnt4GeWXNWDESDaiC8WtAz', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj']
[ "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5D7CeVRYKi6ANm5zKHGViZJrgXfnt4GeWXNWDESDaiC8WtAz", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b6r/5HEo565W/2025-01-31_16-09-16/6b6r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b6r/5HEo565W/2025-01-31_16-09-16/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b6r/5HEo565W/2025-01-31_16-09-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b6r/5HEo565W/2025-01-31_16-09-16/6b6r.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 377.93}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 377.93 }, "water": "amber14/tip3pfb.xml" }
 -8047.9922 2025-01-31 18:36:41 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5C4xDki7/2025-01-31_21-53-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5Cd59oQs/2025-01-31_21-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5HYCRBVh/2025-01-31_21-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5DvtSoBC/2025-01-31_21-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5DXiys3z/2025-01-31_21-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5GeFCh4z/2025-01-31_21-53-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5D7CeVRY/2025-01-31_21-53-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5FBis2fY/2025-01-31_21-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5E2VPvK2/2025-01-31_21-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5FPK4CeE/2025-01-31_21-53-01/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5C4xDki7/2025-01-31_21-53-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5Cd59oQs/2025-01-31_21-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5HYCRBVh/2025-01-31_21-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5DvtSoBC/2025-01-31_21-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5DXiys3z/2025-01-31_21-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5GeFCh4z/2025-01-31_21-53-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5D7CeVRY/2025-01-31_21-53-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5FBis2fY/2025-01-31_21-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5E2VPvK2/2025-01-31_21-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b6r/5HEo565W/5FPK4CeE/2025-01-31_21-53-01/md_0_1.cpt" ]
15898 99ebd67b-5b51-4b5b-9ff6-8308ad363a39 6kcw 2025-01-31 16:08:43 2025-01-31 20:05:22 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x
['5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5D7CeVRYKi6ANm5zKHGViZJrgXfnt4GeWXNWDESDaiC8WtAz']
[ "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5D7CeVRYKi6ANm5zKHGViZJrgXfnt4GeWXNWDESDaiC8WtAz" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kcw/5FFApaS7/2025-01-31_16-08-42/6kcw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kcw/5FFApaS7/2025-01-31_16-08-42/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kcw/5FFApaS7/2025-01-31_16-08-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kcw/5FFApaS7/2025-01-31_16-08-42/6kcw.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 202.26}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 202.26 }, "water": "charmm36/water.xml" }
 -17964.0195 2025-01-31 17:56:36 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5DcKLuwD/2025-01-31_20-05-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5HN5q9Fa/2025-01-31_20-05-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5EhomZa6/2025-01-31_20-05-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5HTGnSe5/2025-01-31_20-05-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5CaPMXwr/2025-01-31_20-05-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5E4Sun3n/2025-01-31_20-05-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5GxMgpTj/2025-01-31_20-05-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5Gb5EGGA/2025-01-31_20-05-32/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5ExkyH3g/2025-01-31_20-05-33/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5D7CeVRY/2025-01-31_20-05-33/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5DcKLuwD/2025-01-31_20-05-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5HN5q9Fa/2025-01-31_20-05-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5EhomZa6/2025-01-31_20-05-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5HTGnSe5/2025-01-31_20-05-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5CaPMXwr/2025-01-31_20-05-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5E4Sun3n/2025-01-31_20-05-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5GxMgpTj/2025-01-31_20-05-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5Gb5EGGA/2025-01-31_20-05-32/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5ExkyH3g/2025-01-31_20-05-33/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kcw/5FFApaS7/5D7CeVRY/2025-01-31_20-05-33/md_0_1_old.cpt" ]
15895 91fd38ce-1248-4af1-be30-d151ac800f32 1c6x 2025-01-31 16:05:44 2025-01-31 19:12:12 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA
['5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT']
[ "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c6x/5Cg5QgjM/2025-01-31_16-05-42/1c6x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c6x/5Cg5QgjM/2025-01-31_16-05-42/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c6x/5Cg5QgjM/2025-01-31_16-05-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c6x/5Cg5QgjM/2025-01-31_16-05-42/1c6x.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 346.27}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 346.27 }, "water": "charmm36/water.xml" }
 -6423.2129 2025-01-31 18:07:03 600 5 1500 1.000000 5
['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5G27Crdi/2025-01-31_19-12-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5FeeZzWZ/2025-01-31_19-12-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5FLh1jsy/2025-01-31_19-12-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5Dc8cxYU/2025-01-31_19-12-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5Dyv2T3R/2025-01-31_19-12-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5FvepbgL/2025-01-31_19-12-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5ELBjjiT/2025-01-31_19-12-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5HHGSKLz/2025-01-31_19-12-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5DUmNo3Q/2025-01-31_19-12-17/md_0_1.cpt']
[ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5G27Crdi/2025-01-31_19-12-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5FeeZzWZ/2025-01-31_19-12-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5FLh1jsy/2025-01-31_19-12-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5Dc8cxYU/2025-01-31_19-12-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5Dyv2T3R/2025-01-31_19-12-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5FvepbgL/2025-01-31_19-12-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5ELBjjiT/2025-01-31_19-12-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5HHGSKLz/2025-01-31_19-12-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c6x/5Cg5QgjM/5DUmNo3Q/2025-01-31_19-12-17/md_0_1.cpt" ]
15893 a3735359-aec7-4a61-b71a-6b0e03575865 2x7z 2025-01-31 16:03:52 2025-01-31 19:59:12 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY
['5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz']
[ "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2x7z/5FFApaS7/2025-01-31_16-03-49/2x7z.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2x7z/5FFApaS7/2025-01-31_16-03-49/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2x7z/5FFApaS7/2025-01-31_16-03-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2x7z/5FFApaS7/2025-01-31_16-03-49/2x7z.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 212.75}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 212.75 }, "water": "amber14/tip3pfb.xml" }
 -6744.5059 2025-01-31 17:51:39 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5FWYXGNx/2025-01-31_19-59-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5H3uS2zM/2025-01-31_19-59-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5FdvaRoH/2025-01-31_19-59-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5HYkJT1S/2025-01-31_19-59-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5Dka3Vh6/2025-01-31_19-59-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5C7LuavG/2025-01-31_19-59-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5GEhtD5B/2025-01-31_19-59-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5F6bUfiS/2025-01-31_19-59-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5EUX8Kuc/2025-01-31_19-59-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5CaUeYYY/2025-01-31_19-59-28/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5FWYXGNx/2025-01-31_19-59-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5H3uS2zM/2025-01-31_19-59-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5FdvaRoH/2025-01-31_19-59-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5HYkJT1S/2025-01-31_19-59-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5Dka3Vh6/2025-01-31_19-59-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5C7LuavG/2025-01-31_19-59-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5GEhtD5B/2025-01-31_19-59-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5F6bUfiS/2025-01-31_19-59-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5EUX8Kuc/2025-01-31_19-59-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2x7z/5FFApaS7/5CaUeYYY/2025-01-31_19-59-28/md_0_1.cpt" ]
15892 202a06d0-34cb-4aa5-8346-332db6afaee8 1hgf 2025-01-31 16:01:08 2025-01-31 19:57:48 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE
['5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW']
[ "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/1hgf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/1hgf.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 356.85}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 356.85 }, "water": "amber14/tip3pfb.xml" }
 -134504.6250 2025-01-31 17:50:20 600 5 1500 1.000000 5
['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5EqEJuYc/2025-01-31_19-57-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5Gbc1Dzo/2025-01-31_19-57-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5CtCgQia/2025-01-31_19-57-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5FLh1jsy/2025-01-31_19-57-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5G9WyBQN/2025-01-31_19-57-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5EsKitVx/2025-01-31_19-57-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5CkkTeB4/2025-01-31_19-57-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5EbgU56i/2025-01-31_19-57-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5DvtSoBC/2025-01-31_19-57-56/md_0_1.cpt']
[ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5EqEJuYc/2025-01-31_19-57-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5Gbc1Dzo/2025-01-31_19-57-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5CtCgQia/2025-01-31_19-57-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5FLh1jsy/2025-01-31_19-57-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5G9WyBQN/2025-01-31_19-57-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5EsKitVx/2025-01-31_19-57-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5CkkTeB4/2025-01-31_19-57-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5EbgU56i/2025-01-31_19-57-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hgf/5FFApaS7/5DvtSoBC/2025-01-31_19-57-56/md_0_1.cpt" ]
15862 fd7238df-a199-4fa7-b3f5-61c314857ec2 2k4m 2025-01-31 15:50:40 2025-01-31 18:39:42 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z
['5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA']
[ "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/2k4m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/2k4m.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 228.02}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 228.02 }, "water": "amber14/tip3pfb.xml" }
 -16084.7549 2025-01-31 17:21:43 600 5 1500 1.000000 5
['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5G6mzcBY/2025-01-31_18-39-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5FHgDbX7/2025-01-31_18-39-50/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5DvtSoBC/2025-01-31_18-39-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5DU7YwrR/2025-01-31_18-39-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5Fuos1nD/2025-01-31_18-39-50/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5HpDuDJb/2025-01-31_18-39-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5CiGhHrn/2025-01-31_18-39-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5HU3t5Nc/2025-01-31_18-39-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5DdAr5Uw/2025-01-31_18-39-51/md_0_1.cpt']
[ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5G6mzcBY/2025-01-31_18-39-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5FHgDbX7/2025-01-31_18-39-50/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5DvtSoBC/2025-01-31_18-39-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5DU7YwrR/2025-01-31_18-39-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5Fuos1nD/2025-01-31_18-39-50/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5HpDuDJb/2025-01-31_18-39-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5CiGhHrn/2025-01-31_18-39-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5HU3t5Nc/2025-01-31_18-39-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k4m/5F4tQyWr/5DdAr5Uw/2025-01-31_18-39-51/md_0_1.cpt" ]
15861 ad1e418d-1054-4424-a291-2a837e991bc9 4glb 2025-01-31 15:49:31 2025-01-31 18:38:54 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA
['5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA']
[ "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/4glb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/4glb.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 395.9}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 395.9 }, "water": "charmm36/water.xml" }
 -16553.8730 2025-01-31 17:40:36 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5Dce7pxY/2025-01-31_18-39-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5CarftSX/2025-01-31_18-39-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5EsKitVx/2025-01-31_18-39-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5GpsZaPf/2025-01-31_18-39-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5CaPMXwr/2025-01-31_18-39-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5H3uS2zM/2025-01-31_18-39-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5CSqSvkr/2025-01-31_18-39-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5EsKXx7M/2025-01-31_18-39-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5EcntL3e/2025-01-31_18-39-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5G3onMPU/2025-01-31_18-39-08/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5Dce7pxY/2025-01-31_18-39-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5CarftSX/2025-01-31_18-39-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5EsKitVx/2025-01-31_18-39-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5GpsZaPf/2025-01-31_18-39-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5CaPMXwr/2025-01-31_18-39-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5H3uS2zM/2025-01-31_18-39-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5CSqSvkr/2025-01-31_18-39-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5EsKXx7M/2025-01-31_18-39-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5EcntL3e/2025-01-31_18-39-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4glb/5F4tQyWr/5G3onMPU/2025-01-31_18-39-08/md_0_1.cpt" ]
15891 bfc34272-ddfc-4163-85cf-e4ff1073e7da 4omw 2025-01-31 15:45:36 2025-01-31 19:17:51 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu
['5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE']
[ "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/4omw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/4omw.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 354.85}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 354.85 }, "water": "charmm36/water.xml" }
 -15083.8584 2025-01-31 18:00:11 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5HjbTouu/2025-01-31_19-17-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5FNEiDZG/2025-01-31_19-18-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5GjSmYTj/2025-01-31_19-18-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5GeHm4rw/2025-01-31_19-18-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5G9vwUF5/2025-01-31_19-18-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5Do45VTZ/2025-01-31_19-18-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5DXvZ6kW/2025-01-31_19-18-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5D2utUte/2025-01-31_19-18-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5HNjFXXT/2025-01-31_19-18-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5EyWAbu3/2025-01-31_19-18-14/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5HjbTouu/2025-01-31_19-17-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5FNEiDZG/2025-01-31_19-18-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5GjSmYTj/2025-01-31_19-18-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5GeHm4rw/2025-01-31_19-18-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5G9vwUF5/2025-01-31_19-18-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5Do45VTZ/2025-01-31_19-18-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5DXvZ6kW/2025-01-31_19-18-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5D2utUte/2025-01-31_19-18-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5HNjFXXT/2025-01-31_19-18-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4omw/5GKH9FPP/5EyWAbu3/2025-01-31_19-18-14/md_0_1.cpt" ]
15890 eb51a92c-adff-4bdc-a158-d49a0cd40e45 1azb 2025-01-31 15:43:04 2025-01-31 19:08:50 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6
['5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1']
[ "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/1azb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/1azb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 269.04}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 269.04 }, "water": "amber14/tip3pfb.xml" }
 -17750.5371 2025-01-31 17:53:28 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5GutyMJ2/2025-01-31_19-08-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5H5wXPTT/2025-01-31_19-08-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5HonwvyF/2025-01-31_19-08-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5E7u7wM5/2025-01-31_19-08-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5FFZBVP6/2025-01-31_19-08-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5HpDuDJb/2025-01-31_19-08-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5CRrGY7J/2025-01-31_19-08-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5FTzckmn/2025-01-31_19-08-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5D4kFUfn/2025-01-31_19-09-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5Gxq2tRq/2025-01-31_19-09-00/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5GutyMJ2/2025-01-31_19-08-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5H5wXPTT/2025-01-31_19-08-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5HonwvyF/2025-01-31_19-08-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5E7u7wM5/2025-01-31_19-08-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5FFZBVP6/2025-01-31_19-08-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5HpDuDJb/2025-01-31_19-08-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5CRrGY7J/2025-01-31_19-08-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5FTzckmn/2025-01-31_19-08-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5D4kFUfn/2025-01-31_19-09-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1azb/5GKH9FPP/5Gxq2tRq/2025-01-31_19-09-00/md_0_1_old.cpt" ]
15889 217b6fd6-8bcd-4601-81b1-0240243a15f1 2fm4 2025-01-31 15:41:35 2025-01-31 20:54:49 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P
['5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P', '5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs', '5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c']
[ "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P", "5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs", "5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/2fm4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/2fm4.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 370.4}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 370.4 }, "water": "amber14/tip3pfb.xml" }
 -4412.7017 2025-01-31 17:23:00 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5DkvT79z/2025-01-31_20-54-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5DXXiX9i/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5FxpkNkq/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5D9nYrVf/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5GYVQABL/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5G27Crdi/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5HKMcnD5/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5HN4zGAv/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5GGb3rhZ/2025-01-31_20-54-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5CaPMXwr/2025-01-31_20-54-55/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5DkvT79z/2025-01-31_20-54-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5DXXiX9i/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5FxpkNkq/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5D9nYrVf/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5GYVQABL/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5G27Crdi/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5HKMcnD5/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5HN4zGAv/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5GGb3rhZ/2025-01-31_20-54-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fm4/5HEo565W/5CaPMXwr/2025-01-31_20-54-55/md_0_1.cpt" ]
15888 43d3c20f-c09f-4355-a359-8f761dbce0cf 1whi 2025-01-31 15:41:03 2025-01-31 17:49:11 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA
['5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA']
[ "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1whi/5F2CsUDV/2025-01-31_15-41-01/1whi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1whi/5F2CsUDV/2025-01-31_15-41-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1whi/5F2CsUDV/2025-01-31_15-41-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1whi/5F2CsUDV/2025-01-31_15-41-01/1whi.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 357.64}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 357.64 }, "water": "charmm36/water.xml" }
 -10753.0654 2025-01-31 16:45:26 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5FqatghH/2025-01-31_17-49-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5Ey8VdnS/2025-01-31_17-49-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5DUBJXqH/2025-01-31_17-49-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5ENZdoRq/2025-01-31_17-49-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5HGZLfCa/2025-01-31_17-49-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5Eo36DdG/2025-01-31_17-49-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5CkkTeB4/2025-01-31_17-49-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5DcKLuwD/2025-01-31_17-49-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5EnT7oy4/2025-01-31_17-49-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5DdAr5Uw/2025-01-31_17-49-58/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5FqatghH/2025-01-31_17-49-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5Ey8VdnS/2025-01-31_17-49-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5DUBJXqH/2025-01-31_17-49-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5ENZdoRq/2025-01-31_17-49-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5HGZLfCa/2025-01-31_17-49-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5Eo36DdG/2025-01-31_17-49-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5CkkTeB4/2025-01-31_17-49-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5DcKLuwD/2025-01-31_17-49-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5EnT7oy4/2025-01-31_17-49-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1whi/5F2CsUDV/5DdAr5Uw/2025-01-31_17-49-58/md_0_1.cpt" ]
15887 9a36c111-97dd-4b55-9b9e-da2102a3282e 3w8e 2025-01-31 15:37:12 2025-01-31 19:06:19 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc
['5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT']
[ "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w8e/5FFApaS7/2025-01-31_15-37-11/3w8e.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w8e/5FFApaS7/2025-01-31_15-37-11/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w8e/5FFApaS7/2025-01-31_15-37-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w8e/5FFApaS7/2025-01-31_15-37-11/3w8e.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 361.71}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 361.71 }, "water": "charmm36/water.xml" }
 -4690.5347 2025-01-31 16:58:35 600 5 1500 1.000000 5
['', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5H1PLX45/2025-01-31_19-06-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5DU7YwrR/2025-01-31_19-06-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5HjbTouu/2025-01-31_19-06-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5ESAZwTf/2025-01-31_19-06-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5EkYTG9y/2025-01-31_19-06-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5DS3joaF/2025-01-31_19-06-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5GeHm4rw/2025-01-31_19-06-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5CJmAajh/2025-01-31_19-06-48/md_0_1.cpt']
[ "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5H1PLX45/2025-01-31_19-06-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5DU7YwrR/2025-01-31_19-06-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5HjbTouu/2025-01-31_19-06-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5ESAZwTf/2025-01-31_19-06-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5EkYTG9y/2025-01-31_19-06-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5DS3joaF/2025-01-31_19-06-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5GeHm4rw/2025-01-31_19-06-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3w8e/5FFApaS7/5CJmAajh/2025-01-31_19-06-48/md_0_1.cpt" ]
15853 15bc3e45-87bf-42f6-be62-5be7a3c4af02 2paf 2025-01-31 15:36:44 2025-01-31 18:32:22 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf
['5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5', '5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf', '5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ']
[ "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5", "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2paf/5F4tQyWr/2025-01-31_15-36-43/2paf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2paf/5F4tQyWr/2025-01-31_15-36-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2paf/5F4tQyWr/2025-01-31_15-36-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2paf/5F4tQyWr/2025-01-31_15-36-43/2paf.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 368.11}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 368.11 }, "water": "charmm36/water.xml" }
 -17651.3125 2025-01-31 18:00:34 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5FLh1jsy/2025-01-31_18-32-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5G9iNxym/2025-01-31_18-32-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5D4pv1fQ/2025-01-31_18-32-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5GTWqP6S/2025-01-31_18-32-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5FqatghH/2025-01-31_18-32-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5EqEJuYc/2025-01-31_18-32-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5GsSM359/2025-01-31_18-32-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5GeqtuH4/2025-01-31_18-32-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5HQV4JrB/2025-01-31_18-32-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5CkvSoEP/2025-01-31_18-32-32/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5FLh1jsy/2025-01-31_18-32-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5G9iNxym/2025-01-31_18-32-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5D4pv1fQ/2025-01-31_18-32-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5GTWqP6S/2025-01-31_18-32-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5FqatghH/2025-01-31_18-32-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5EqEJuYc/2025-01-31_18-32-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5GsSM359/2025-01-31_18-32-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5GeqtuH4/2025-01-31_18-32-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5HQV4JrB/2025-01-31_18-32-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2paf/5F4tQyWr/5CkvSoEP/2025-01-31_18-32-32/md_0_1.cpt" ]
15886 5c09bf14-fad6-4927-a44e-c90260779fe0 4x8o 2025-01-31 15:32:02 2025-01-31 19:02:12 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg
['5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt']
[ "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4x8o/5FFApaS7/2025-01-31_15-32-00/4x8o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4x8o/5FFApaS7/2025-01-31_15-32-00/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4x8o/5FFApaS7/2025-01-31_15-32-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4x8o/5FFApaS7/2025-01-31_15-32-00/4x8o.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 244.44}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 244.44 }, "water": "amber14/tip3pfb.xml" }
 -45917.8438 2025-01-31 16:55:27 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5DUBJXqH/2025-01-31_19-02-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HNjFXXT/2025-01-31_19-02-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HN4zGAv/2025-01-31_19-02-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5EyWAbu3/2025-01-31_19-02-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HdtUhXT/2025-01-31_19-02-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5GbtQBrz/2025-01-31_19-02-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HdFjgzv/2025-01-31_19-02-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5DFuo6i7/2025-01-31_19-02-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5FqatghH/2025-01-31_19-02-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5GBzJfFq/2025-01-31_19-02-29/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5DUBJXqH/2025-01-31_19-02-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HNjFXXT/2025-01-31_19-02-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HN4zGAv/2025-01-31_19-02-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5EyWAbu3/2025-01-31_19-02-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HdtUhXT/2025-01-31_19-02-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5GbtQBrz/2025-01-31_19-02-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5HdFjgzv/2025-01-31_19-02-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5DFuo6i7/2025-01-31_19-02-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5FqatghH/2025-01-31_19-02-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4x8o/5FFApaS7/5GBzJfFq/2025-01-31_19-02-29/md_0_1_old.cpt" ]
15885 e2a775ee-b32b-4ba1-a7fa-8bdfb534fe4d 2ixi 2025-01-31 15:30:38 2025-01-31 18:58:19 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4
['5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ']
[ "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixi/5FFApaS7/2025-01-31_15-30-37/2ixi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixi/5FFApaS7/2025-01-31_15-30-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixi/5FFApaS7/2025-01-31_15-30-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixi/5FFApaS7/2025-01-31_15-30-37/2ixi.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 307.48}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 307.48 }, "water": "amber14/tip3pfb.xml" }
 -37132.2227 2025-01-31 16:53:15 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5HYficC7/2025-01-31_18-58-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5EjRpczo/2025-01-31_18-59-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5G9vwUF5/2025-01-31_18-59-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5CcabLox/2025-01-31_18-59-33/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5Gxq2tRq/2025-01-31_18-59-35/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5EsK8GE1/2025-01-31_18-59-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5CoEdgdk/2025-01-31_18-59-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5CkzwPiq/2025-01-31_18-59-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5HeMZXU8/2025-01-31_18-59-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5GxjqYXt/2025-01-31_18-59-44/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5HYficC7/2025-01-31_18-58-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5EjRpczo/2025-01-31_18-59-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5G9vwUF5/2025-01-31_18-59-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5CcabLox/2025-01-31_18-59-33/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5Gxq2tRq/2025-01-31_18-59-35/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5EsK8GE1/2025-01-31_18-59-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5CoEdgdk/2025-01-31_18-59-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5CkzwPiq/2025-01-31_18-59-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5HeMZXU8/2025-01-31_18-59-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixi/5FFApaS7/5GxjqYXt/2025-01-31_18-59-44/md_0_1.cpt" ]
Showing items 1621 to 1640 of 17519 entries