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
4248	0412879b-bf77-4813-8b9d-02788915df0e	2n7z	2025-01-16 09:26:14	2025-01-16 10:57:13	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z	['5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA'] [ "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7z/5Cg5QgjM/2025-01-16_09-26-12/2n7z.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7z/5Cg5QgjM/2025-01-16_09-26-12/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7z/5Cg5QgjM/2025-01-16_09-26-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7z/5Cg5QgjM/2025-01-16_09-26-12/2n7z.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 265.49}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 265.49 }, "water": "amber14/tip3pfb.xml" }	-12888.8555	2025-01-16 10:27:24	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5GEhtD5B/2025-01-16_10-57-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5H8rX8Zb/2025-01-16_10-57-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5EX5Lx7s/2025-01-16_10-57-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5GpYkazm/2025-01-16_10-57-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5HHGSKLz/2025-01-16_10-57-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5FeeZzWZ/2025-01-16_10-57-24/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5DndzPQR/2025-01-16_10-57-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5C7LuavG/2025-01-16_10-57-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5ESEfcCx/2025-01-16_10-57-24/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5GEhtD5B/2025-01-16_10-57-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5H8rX8Zb/2025-01-16_10-57-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5EX5Lx7s/2025-01-16_10-57-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5GpYkazm/2025-01-16_10-57-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5HHGSKLz/2025-01-16_10-57-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5FeeZzWZ/2025-01-16_10-57-24/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5DndzPQR/2025-01-16_10-57-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5C7LuavG/2025-01-16_10-57-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7z/5Cg5QgjM/5ESEfcCx/2025-01-16_10-57-24/md_0_1.cpt" ]
4247	b399cbfa-5865-4fb9-b70d-28fc9d6f4565	2i7s	2025-01-16 09:24:26	2025-01-16 10:56:42	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW	['5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss'] [ "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2i7s/5Cg5QgjM/2025-01-16_09-24-24/2i7s.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2i7s/5Cg5QgjM/2025-01-16_09-24-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2i7s/5Cg5QgjM/2025-01-16_09-24-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2i7s/5Cg5QgjM/2025-01-16_09-24-24/2i7s.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 239.24}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 239.24 }, "water": "charmm36/water.xml" }	-19364.8340	2025-01-16 10:26:41	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5CkkTeB4/2025-01-16_10-56-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5DU7YwrR/2025-01-16_10-56-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5HmPbPUa/2025-01-16_10-56-52/nvt.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5C8aeZq1/2025-01-16_10-56-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5GxjqYXt/2025-01-16_10-56-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5Eq9hKu9/2025-01-16_10-56-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5FHgDbX7/2025-01-16_10-56-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5GjWuUXL/2025-01-16_10-56-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5FkBB721/2025-01-16_10-56-54/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5CkkTeB4/2025-01-16_10-56-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5DU7YwrR/2025-01-16_10-56-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5HmPbPUa/2025-01-16_10-56-52/nvt.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5C8aeZq1/2025-01-16_10-56-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5GxjqYXt/2025-01-16_10-56-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5Eq9hKu9/2025-01-16_10-56-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5FHgDbX7/2025-01-16_10-56-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5GjWuUXL/2025-01-16_10-56-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2i7s/5Cg5QgjM/5FkBB721/2025-01-16_10-56-54/md_0_1.cpt" ]
4204	ce01b0db-00d2-40f4-9fc0-c963d67221d5	8p1a	2025-01-16 09:23:01	2025-01-16 11:30:57	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9	['5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5C7pPgRXscWh6CtE3etBHaypCyBkC4o5fcw89ZCMsaGjFoE1', '5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8', '5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT'] [ "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5C7pPgRXscWh6CtE3etBHaypCyBkC4o5fcw89ZCMsaGjFoE1", "5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8", "5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p1a/5F4tQyWr/2025-01-16_09-23-00/8p1a.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p1a/5F4tQyWr/2025-01-16_09-23-00/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p1a/5F4tQyWr/2025-01-16_09-23-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p1a/5F4tQyWr/2025-01-16_09-23-00/8p1a.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 268.33}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 268.33 }, "water": "amber14/tip3pfb.xml" }	-13400.8135	2025-01-16 10:12:44	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5H4BcoLo/2025-01-16_11-31-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5FKxjBGc/2025-01-16_11-31-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5Gxd4M3M/2025-01-16_11-31-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5Gy8GULq/2025-01-16_11-31-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5DRY6eG3/2025-01-16_11-31-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5Ca47zJP/2025-01-16_11-31-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5FFFNMin/2025-01-16_11-31-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5C7pPgRX/2025-01-16_11-31-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5EUoy59V/2025-01-16_11-31-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5D8KgSsG/2025-01-16_11-31-06/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5H4BcoLo/2025-01-16_11-31-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5FKxjBGc/2025-01-16_11-31-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5Gxd4M3M/2025-01-16_11-31-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5Gy8GULq/2025-01-16_11-31-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5DRY6eG3/2025-01-16_11-31-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5Ca47zJP/2025-01-16_11-31-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5FFFNMin/2025-01-16_11-31-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5C7pPgRX/2025-01-16_11-31-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5EUoy59V/2025-01-16_11-31-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8p1a/5F4tQyWr/5D8KgSsG/2025-01-16_11-31-06/md_0_1.cpt" ]
4203	92793939-44d1-4c24-a4ab-d25aad10cf09	2hux	2025-01-16 09:22:58	2025-01-16 11:30:27	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf	['5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn'] [ "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hux/5F4tQyWr/2025-01-16_09-22-56/2hux.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hux/5F4tQyWr/2025-01-16_09-22-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hux/5F4tQyWr/2025-01-16_09-22-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hux/5F4tQyWr/2025-01-16_09-22-56/2hux.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 298.87}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 298.87 }, "water": "charmm36/water.xml" }	-32320.9551	2025-01-16 10:11:42	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5CarftSX/2025-01-16_11-30-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5ELBjjiT/2025-01-16_11-30-36/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5DCKyeLF/2025-01-16_11-30-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5H8rX8Zb/2025-01-16_11-30-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5ENVJyUM/2025-01-16_11-30-38/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5C5mW9ze/2025-01-16_11-30-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5DhhnQF1/2025-01-16_11-30-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5FEvCEPi/2025-01-16_11-30-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5HmiiHdA/2025-01-16_11-30-38/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5CarftSX/2025-01-16_11-30-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5ELBjjiT/2025-01-16_11-30-36/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5DCKyeLF/2025-01-16_11-30-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5H8rX8Zb/2025-01-16_11-30-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5ENVJyUM/2025-01-16_11-30-38/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5C5mW9ze/2025-01-16_11-30-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5DhhnQF1/2025-01-16_11-30-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5FEvCEPi/2025-01-16_11-30-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2hux/5F4tQyWr/5HmiiHdA/2025-01-16_11-30-38/md_0_1.cpt" ]
4246	5d5894e5-dd2a-458d-8352-5b896957813d	6mce	2025-01-16 09:19:59	2025-01-16 10:31:46	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe	['5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH'] [ "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mce/5CzFiYvB/2025-01-16_09-19-57/6mce.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mce/5CzFiYvB/2025-01-16_09-19-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mce/5CzFiYvB/2025-01-16_09-19-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mce/5CzFiYvB/2025-01-16_09-19-57/6mce.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 329.78}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 329.78 }, "water": "amber14/tip3pfb.xml" }	-16546.4453	2025-01-16 09:52:38	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5DRY6eG3/2025-01-16_10-31-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5HQV4JrB/2025-01-16_10-31-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5CV8vqhD/2025-01-16_10-31-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5GxgkVRW/2025-01-16_10-31-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5G9vwUF5/2025-01-16_10-31-53/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5DRY6eG3/2025-01-16_10-31-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5HQV4JrB/2025-01-16_10-31-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5CV8vqhD/2025-01-16_10-31-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5GxgkVRW/2025-01-16_10-31-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mce/5CzFiYvB/5G9vwUF5/2025-01-16_10-31-53/md_0_1.cpt" ]
4245	6b3bfd5f-956e-4229-8f46-f41a79f859bf	1peb	2025-01-16 09:16:42	2025-01-16 12:01:30	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds	['5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds'] [ "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1peb/5HEo565W/2025-01-16_09-16-41/1peb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1peb/5HEo565W/2025-01-16_09-16-41/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1peb/5HEo565W/2025-01-16_09-16-41/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1peb/5HEo565W/2025-01-16_09-16-41/1peb.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 319.57}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 319.57 }, "water": "charmm36/water.xml" }	-9689.5898	2025-01-16 10:50:27	600	4	1500	1.000000	5	[''] [ "" ]
4244	96333096-4357-488d-8a67-95f6be66913f	1m31	2025-01-16 09:15:00	2025-01-16 11:07:11	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc	['5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss'] [ "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m31/5HYk8DMK/2025-01-16_09-14-58/1m31.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m31/5HYk8DMK/2025-01-16_09-14-58/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m31/5HYk8DMK/2025-01-16_09-14-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m31/5HYk8DMK/2025-01-16_09-14-58/1m31.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 373.67}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 373.67 }, "water": "charmm36/water.xml" }	-13312.5371	2025-01-16 10:09:06	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5DS3joaF/2025-01-16_11-07-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5DMN7X5j/2025-01-16_11-07-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5C7LuavG/2025-01-16_11-07-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5GeHm4rw/2025-01-16_11-07-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5GpYkazm/2025-01-16_11-07-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5EUX8Kuc/2025-01-16_11-07-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5H8rX8Zb/2025-01-16_11-07-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5H1PLX45/2025-01-16_11-07-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5D4kFUfn/2025-01-16_11-07-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5FkBB721/2025-01-16_11-07-21/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5DS3joaF/2025-01-16_11-07-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5DMN7X5j/2025-01-16_11-07-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5C7LuavG/2025-01-16_11-07-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5GeHm4rw/2025-01-16_11-07-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5GpYkazm/2025-01-16_11-07-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5EUX8Kuc/2025-01-16_11-07-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5H8rX8Zb/2025-01-16_11-07-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5H1PLX45/2025-01-16_11-07-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5D4kFUfn/2025-01-16_11-07-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1m31/5HYk8DMK/5FkBB721/2025-01-16_11-07-21/md_0_1.cpt" ]
4243	01c39203-d21a-4ff3-bfd3-03c5ce301a63	2ips	2025-01-16 09:14:44	2025-01-16 11:04:51	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX	['5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR'] [ "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ips/5HYk8DMK/2025-01-16_09-14-42/2ips.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ips/5HYk8DMK/2025-01-16_09-14-42/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ips/5HYk8DMK/2025-01-16_09-14-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ips/5HYk8DMK/2025-01-16_09-14-42/2ips.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 247.53}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 247.53 }, "water": "charmm36/water.xml" }	-46180.0273	2025-01-16 10:07:05	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5HbgRnCL/2025-01-16_11-04-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5CoEdgdk/2025-01-16_11-04-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5FeeZzWZ/2025-01-16_11-05-00/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5EUoy59V/2025-01-16_11-05-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5FKxjBGc/2025-01-16_11-05-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5DhNncUE/2025-01-16_11-05-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5DkonMmc/2025-01-16_11-05-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5H3NbTt2/2025-01-16_11-05-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5EbgU56i/2025-01-16_11-05-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5CcabLox/2025-01-16_11-05-09/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5HbgRnCL/2025-01-16_11-04-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5CoEdgdk/2025-01-16_11-04-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5FeeZzWZ/2025-01-16_11-05-00/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5EUoy59V/2025-01-16_11-05-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5FKxjBGc/2025-01-16_11-05-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5DhNncUE/2025-01-16_11-05-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5DkonMmc/2025-01-16_11-05-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5H3NbTt2/2025-01-16_11-05-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5EbgU56i/2025-01-16_11-05-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ips/5HYk8DMK/5CcabLox/2025-01-16_11-05-09/md_0_1_old.cpt" ]
4242	f062c8a9-135c-4848-98be-1abb9bc16873	1wpw	2025-01-16 09:13:10	2025-01-16 11:01:19	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S	['5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt'] [ "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wpw/5HYk8DMK/2025-01-16_09-13-09/1wpw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wpw/5HYk8DMK/2025-01-16_09-13-09/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wpw/5HYk8DMK/2025-01-16_09-13-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wpw/5HYk8DMK/2025-01-16_09-13-09/1wpw.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 335.58}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 335.58 }, "water": "amber14/tip3pfb.xml" }	-60420.9062	2025-01-16 10:04:14	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5C5mW9ze/2025-01-16_11-01-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5DUBJXqH/2025-01-16_11-01-26/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5DoBcTU4/2025-01-16_11-01-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5FjT2qPt/2025-01-16_11-01-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5FF48AEJ/2025-01-16_11-01-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5HYVRNRE/2025-01-16_11-01-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5DAAjjm6/2025-01-16_11-01-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5HYCRBVh/2025-01-16_11-01-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5H1W8b4q/2025-01-16_11-01-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5GBzJfFq/2025-01-16_11-01-29/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5C5mW9ze/2025-01-16_11-01-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5DUBJXqH/2025-01-16_11-01-26/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5DoBcTU4/2025-01-16_11-01-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5FjT2qPt/2025-01-16_11-01-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5FF48AEJ/2025-01-16_11-01-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5HYVRNRE/2025-01-16_11-01-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5DAAjjm6/2025-01-16_11-01-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5HYCRBVh/2025-01-16_11-01-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5H1W8b4q/2025-01-16_11-01-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wpw/5HYk8DMK/5GBzJfFq/2025-01-16_11-01-29/md_0_1_old.cpt" ]
4241	269eb58a-8f4e-407e-a179-0d2832091d36	2keq	2025-01-16 09:11:22	2025-01-16 10:59:45	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW	['5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL'] [ "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2keq/5HYk8DMK/2025-01-16_09-11-21/2keq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2keq/5HYk8DMK/2025-01-16_09-11-21/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2keq/5HYk8DMK/2025-01-16_09-11-21/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2keq/5HYk8DMK/2025-01-16_09-11-21/2keq.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 249.02}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 249.02 }, "water": "amber14/tip3pfb.xml" }	-13765.0879	2025-01-16 10:02:47	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5EjRpczo/2025-01-16_10-59-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5HYQvFSS/2025-01-16_10-59-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5Ca47zJP/2025-01-16_10-59-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5Hh4RLJA/2025-01-16_10-59-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5EhomZa6/2025-01-16_10-59-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5FHgDbX7/2025-01-16_10-59-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5EsKitVx/2025-01-16_10-59-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5CvYGBVf/2025-01-16_10-59-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5FBis2fY/2025-01-16_10-59-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5CRrGY7J/2025-01-16_10-59-54/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5EjRpczo/2025-01-16_10-59-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5HYQvFSS/2025-01-16_10-59-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5Ca47zJP/2025-01-16_10-59-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5Hh4RLJA/2025-01-16_10-59-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5EhomZa6/2025-01-16_10-59-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5FHgDbX7/2025-01-16_10-59-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5EsKitVx/2025-01-16_10-59-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5CvYGBVf/2025-01-16_10-59-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5FBis2fY/2025-01-16_10-59-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2keq/5HYk8DMK/5CRrGY7J/2025-01-16_10-59-54/md_0_1.cpt" ]
4240	c1d641fd-5142-483e-8a2e-80ebd5eeb92b	1mmm	2025-01-16 09:10:48	2025-01-16 10:16:24	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk	['5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e'] [ "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mmm/5CzFiYvB/2025-01-16_09-10-47/1mmm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mmm/5CzFiYvB/2025-01-16_09-10-47/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mmm/5CzFiYvB/2025-01-16_09-10-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mmm/5CzFiYvB/2025-01-16_09-10-47/1mmm.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 214.62}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 214.62 }, "water": "amber14/tip3pfb.xml" }	-36154.8672	2025-01-16 09:38:26	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5EcDLbvR/2025-01-16_10-16-30/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5HdtUhXT/2025-01-16_10-16-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5CULginL/2025-01-16_10-16-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5E4Eu5KB/2025-01-16_10-16-31/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5EcDLbvR/2025-01-16_10-16-30/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5HdtUhXT/2025-01-16_10-16-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5CULginL/2025-01-16_10-16-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mmm/5CzFiYvB/5E4Eu5KB/2025-01-16_10-16-31/md_0_1.cpt" ]
4239	f1403974-80bb-483e-9ade-49eed5d46bbe	2fj9	2025-01-16 09:10:36	2025-01-16 10:15:49	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT	['5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y'] [ "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fj9/5CzFiYvB/2025-01-16_09-10-35/2fj9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fj9/5CzFiYvB/2025-01-16_09-10-35/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fj9/5CzFiYvB/2025-01-16_09-10-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fj9/5CzFiYvB/2025-01-16_09-10-35/2fj9.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 292.18}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 292.18 }, "water": "charmm36/water.xml" }	-6720.5430	2025-01-16 09:37:19	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5DX8y4qK/2025-01-16_10-15-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5FvepbgL/2025-01-16_10-15-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5D5K1TRy/2025-01-16_10-15-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5FFZBVP6/2025-01-16_10-15-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5FNEiDZG/2025-01-16_10-15-56/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5DX8y4qK/2025-01-16_10-15-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5FvepbgL/2025-01-16_10-15-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5D5K1TRy/2025-01-16_10-15-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5FFZBVP6/2025-01-16_10-15-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2fj9/5CzFiYvB/5FNEiDZG/2025-01-16_10-15-56/md_0_1.cpt" ]
4237	a43273c4-e22a-4490-8a8f-9b2912c659a6	1iry	2025-01-16 09:09:33	2025-01-16 10:37:54	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti	['5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp'] [ "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iry/5Cg5QgjM/2025-01-16_09-09-31/1iry.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iry/5Cg5QgjM/2025-01-16_09-09-31/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iry/5Cg5QgjM/2025-01-16_09-09-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iry/5Cg5QgjM/2025-01-16_09-09-31/1iry.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 208.44}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 208.44 }, "water": "amber14/tip3pfb.xml" }	-16676.8926	2025-01-16 09:51:26	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5H1W8b4q/2025-01-16_10-38-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5DJ6gt2p/2025-01-16_10-38-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5CV8vqhD/2025-01-16_10-38-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5DyitGMU/2025-01-16_10-38-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5HYVRNRE/2025-01-16_10-38-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5CATsG1V/2025-01-16_10-38-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5FEvCEPi/2025-01-16_10-38-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5Fs8ex9e/2025-01-16_10-38-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5D2utUte/2025-01-16_10-38-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5DST8S6N/2025-01-16_10-38-05/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5H1W8b4q/2025-01-16_10-38-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5DJ6gt2p/2025-01-16_10-38-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5CV8vqhD/2025-01-16_10-38-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5DyitGMU/2025-01-16_10-38-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5HYVRNRE/2025-01-16_10-38-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5CATsG1V/2025-01-16_10-38-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5FEvCEPi/2025-01-16_10-38-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5Fs8ex9e/2025-01-16_10-38-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5D2utUte/2025-01-16_10-38-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iry/5Cg5QgjM/5DST8S6N/2025-01-16_10-38-05/md_0_1.cpt" ]
4236	938f8441-1891-4092-b6b3-067edf8f1447	3qj1	2025-01-16 09:08:56	2025-01-16 11:06:53	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC	['5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7'] [ "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qj1/5CzFiYvB/2025-01-16_09-08-40/3qj1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qj1/5CzFiYvB/2025-01-16_09-08-40/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qj1/5CzFiYvB/2025-01-16_09-08-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qj1/5CzFiYvB/2025-01-16_09-08-40/3qj1.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 287.86}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 287.86 }, "water": "charmm36/water.xml" }	-53663.2969	2025-01-16 10:31:28	600	8	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5GrmnoWJ/2025-01-16_11-06-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5EDE2v2f/2025-01-16_11-06-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5GEhtD5B/2025-01-16_11-06-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5EX5Lx7s/2025-01-16_11-07-00/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5GrmnoWJ/2025-01-16_11-06-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5EDE2v2f/2025-01-16_11-06-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5GEhtD5B/2025-01-16_11-06-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3qj1/5CzFiYvB/5EX5Lx7s/2025-01-16_11-07-00/md_0_1.cpt" ]
4188	94e11217-1667-4d73-964a-a1819d50e4da	1g1y	2025-01-16 09:08:46	2025-01-16 11:27:15	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE	['5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc'] [ "5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g1y/5F4tQyWr/2025-01-16_09-08-44/1g1y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g1y/5F4tQyWr/2025-01-16_09-08-44/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g1y/5F4tQyWr/2025-01-16_09-08-44/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g1y/5F4tQyWr/2025-01-16_09-08-44/1g1y.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 283.66}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 283.66 }, "water": "charmm36/water.xml" }	-99755.8672	2025-01-16 10:57:03	600	6	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5HjoEydZ/2025-01-16_11-27-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5HMrjPv6/2025-01-16_11-27-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5FH24sg8/2025-01-16_11-27-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5Hoy4hqe/2025-01-16_11-27-22/nvt.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5GEhtD5B/2025-01-16_11-27-23/nvt.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5FcDSsb4/2025-01-16_11-27-23/nvt.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5Eh1ZgyG/2025-01-16_11-27-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5GpsZaPf/2025-01-16_11-27-23/npt.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5DS3joaF/2025-01-16_11-27-24/npt.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5HjoEydZ/2025-01-16_11-27-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5HMrjPv6/2025-01-16_11-27-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5FH24sg8/2025-01-16_11-27-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5Hoy4hqe/2025-01-16_11-27-22/nvt.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5GEhtD5B/2025-01-16_11-27-23/nvt.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5FcDSsb4/2025-01-16_11-27-23/nvt.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5Eh1ZgyG/2025-01-16_11-27-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5GpsZaPf/2025-01-16_11-27-23/npt.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g1y/5F4tQyWr/5DS3joaF/2025-01-16_11-27-24/npt.cpt" ]
4235	13a1b2f8-3689-4e7a-8d18-5829deaa1fe1	2kv2	2025-01-16 09:08:00	2025-01-16 10:12:31	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX	['5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn'] [ "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kv2/5CzFiYvB/2025-01-16_09-07-59/2kv2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kv2/5CzFiYvB/2025-01-16_09-07-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kv2/5CzFiYvB/2025-01-16_09-07-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kv2/5CzFiYvB/2025-01-16_09-07-59/2kv2.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 322.16}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 322.16 }, "water": "amber14/tip3pfb.xml" }	-5290.5127	2025-01-16 09:34:04	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5H3NbTt2/2025-01-16_10-12-37/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5HdfzvTF/2025-01-16_10-12-38/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5H5wXPTT/2025-01-16_10-12-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5HdFjgzv/2025-01-16_10-12-39/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5H3NbTt2/2025-01-16_10-12-37/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5HdfzvTF/2025-01-16_10-12-38/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5H5wXPTT/2025-01-16_10-12-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kv2/5CzFiYvB/5HdFjgzv/2025-01-16_10-12-39/md_0_1_old.cpt" ]
4234	6f551b74-3121-4c1a-8c6a-8c6fc94ef33d	5yal	2025-01-16 09:07:05	2025-01-16 11:05:15	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227	['5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe', '5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo'] [ "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe", "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5yal/5FFApaS7/2025-01-16_09-07-04/5yal.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5yal/5FFApaS7/2025-01-16_09-07-04/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5yal/5FFApaS7/2025-01-16_09-07-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5yal/5FFApaS7/2025-01-16_09-07-04/5yal.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 224.34}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 224.34 }, "water": "amber14/tip3pfb.xml" }	-39275.2969	2025-01-16 10:04:37	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5HMrjPv6/2025-01-16_11-05-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5FHTS8rc/2025-01-16_11-05-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5H1W8b4q/2025-01-16_11-05-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5DhhnQF1/2025-01-16_11-05-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5HNjFXXT/2025-01-16_11-05-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5Gurm68i/2025-01-16_11-05-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5C4xDki7/2025-01-16_11-05-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5G6mzcBY/2025-01-16_11-05-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5EycN1NE/2025-01-16_11-05-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5GbtQBrz/2025-01-16_11-05-34/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5HMrjPv6/2025-01-16_11-05-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5FHTS8rc/2025-01-16_11-05-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5H1W8b4q/2025-01-16_11-05-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5DhhnQF1/2025-01-16_11-05-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5HNjFXXT/2025-01-16_11-05-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5Gurm68i/2025-01-16_11-05-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5C4xDki7/2025-01-16_11-05-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5G6mzcBY/2025-01-16_11-05-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5EycN1NE/2025-01-16_11-05-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5yal/5FFApaS7/5GbtQBrz/2025-01-16_11-05-34/md_0_1.cpt" ]
4233	10bd3173-2f8d-4cf1-b40c-caf25b2e4f93	1xxz	2025-01-16 09:05:53	2025-01-16 11:03:20	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8	['5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5G1TASN6fYbo2yD29vriXxvVnAAGvGwhdecvCA9ek4r43jV1', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29'] [ "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5G1TASN6fYbo2yD29vriXxvVnAAGvGwhdecvCA9ek4r43jV1", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xxz/5FFApaS7/2025-01-16_09-05-52/1xxz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xxz/5FFApaS7/2025-01-16_09-05-52/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xxz/5FFApaS7/2025-01-16_09-05-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xxz/5FFApaS7/2025-01-16_09-05-52/1xxz.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 300.78}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 300.78 }, "water": "amber14/tip3pfb.xml" }	-296.0967	2025-01-16 10:02:59	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5GeHm4rw/2025-01-16_11-03-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5Gdn7dSR/2025-01-16_11-03-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5HW712Ei/2025-01-16_11-03-37/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5GjSmYTj/2025-01-16_11-03-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5CAz8emp/2025-01-16_11-03-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5G1TASN6/2025-01-16_11-03-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5DJ6gt2p/2025-01-16_11-03-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5EkYTG9y/2025-01-16_11-03-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5HYficC7/2025-01-16_11-03-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5Gxd4M3M/2025-01-16_11-03-43/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5GeHm4rw/2025-01-16_11-03-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5Gdn7dSR/2025-01-16_11-03-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5HW712Ei/2025-01-16_11-03-37/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5GjSmYTj/2025-01-16_11-03-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5CAz8emp/2025-01-16_11-03-41/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5G1TASN6/2025-01-16_11-03-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5DJ6gt2p/2025-01-16_11-03-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5EkYTG9y/2025-01-16_11-03-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5HYficC7/2025-01-16_11-03-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xxz/5FFApaS7/5Gxd4M3M/2025-01-16_11-03-43/md_0_1.cpt" ]
4185	ab0312b8-7c12-4587-a6be-f3995f8039a5	1rl0	2025-01-16 09:04:55	2025-01-16 10:48:13	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL	['5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6'] [ "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rl0/5F4tQyWr/2025-01-16_09-04-53/1rl0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rl0/5F4tQyWr/2025-01-16_09-04-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rl0/5F4tQyWr/2025-01-16_09-04-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rl0/5F4tQyWr/2025-01-16_09-04-53/1rl0.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 357.4}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 357.4 }, "water": "amber14/tip3pfb.xml" }	-25517.7168	2025-01-16 09:47:06	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5CkkTeB4/2025-01-16_10-48-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5ESAZwTf/2025-01-16_10-48-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5HKMcnD5/2025-01-16_10-48-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5EkYTG9y/2025-01-16_10-48-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5Gurm68i/2025-01-16_10-48-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5CD6SYMs/2025-01-16_10-48-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5HU3t5Nc/2025-01-16_10-48-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5CaPMXwr/2025-01-16_10-48-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5C8aeZq1/2025-01-16_10-48-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5GsSM359/2025-01-16_10-48-21/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5CkkTeB4/2025-01-16_10-48-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5ESAZwTf/2025-01-16_10-48-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5HKMcnD5/2025-01-16_10-48-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5EkYTG9y/2025-01-16_10-48-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5Gurm68i/2025-01-16_10-48-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5CD6SYMs/2025-01-16_10-48-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5HU3t5Nc/2025-01-16_10-48-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5CaPMXwr/2025-01-16_10-48-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5C8aeZq1/2025-01-16_10-48-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rl0/5F4tQyWr/5GsSM359/2025-01-16_10-48-21/md_0_1.cpt" ]
4232	7b8ab5f4-22b8-45fb-9f46-f658d532bd0a	4v2l	2025-01-16 09:04:37	2025-01-16 11:02:12	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed	['5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5D269wzntu4dxhXVZmwZ9asBGZ9RGeRZTsy8UjARZz56ga3f', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK', '5FqPytgKBTjSuNjvCetBXwrio3zi2eQ9KCzruFtEAgiuF5HK'] [ "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5D269wzntu4dxhXVZmwZ9asBGZ9RGeRZTsy8UjARZz56ga3f", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5FqPytgKBTjSuNjvCetBXwrio3zi2eQ9KCzruFtEAgiuF5HK" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5FFApaS7/2025-01-16_09-04-36/4v2l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5FFApaS7/2025-01-16_09-04-36/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5FFApaS7/2025-01-16_09-04-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5FFApaS7/2025-01-16_09-04-36/4v2l.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 321.09}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 321.09 }, "water": "amber14/tip3pfb.xml" }	-10098.3506	2025-01-16 10:21:37	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5Gb5EGGA/2025-01-16_11-02-26/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5D269wzn/2025-01-16_11-02-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5DhPQXgo/2025-01-16_11-02-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5DRY6eG3/2025-01-16_11-02-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5H3uS2zM/2025-01-16_11-02-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5GNeDT2Z/2025-01-16_11-02-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5GeFCh4z/2025-01-16_11-02-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5EDE2v2f/2025-01-16_11-02-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5FqPytgK/2025-01-16_11-02-28/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5Gb5EGGA/2025-01-16_11-02-26/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5D269wzn/2025-01-16_11-02-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5DhPQXgo/2025-01-16_11-02-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5DRY6eG3/2025-01-16_11-02-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5H3uS2zM/2025-01-16_11-02-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5GNeDT2Z/2025-01-16_11-02-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5GeFCh4z/2025-01-16_11-02-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5EDE2v2f/2025-01-16_11-02-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5FFApaS7/5FqPytgK/2025-01-16_11-02-28/md_0_1.cpt" ]