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
15474 5d2dd1f0-dc50-48df-aa9e-78da57333d16 1ae7 2025-01-31 03:11:53 2025-01-31 05:23:51 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ae7/5CzFiYvB/2025-01-31_03-11-51/1ae7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ae7/5CzFiYvB/2025-01-31_03-11-51/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ae7/5CzFiYvB/2025-01-31_03-11-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ae7/5CzFiYvB/2025-01-31_03-11-51/1ae7.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 336.94}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 336.94 }, "water": "amber14/tip3pfb.xml" }
 -9030.1045 2025-01-31 04:40:26 600 6 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5DX8y4qK/2025-01-31_05-23-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5EkYTG9y/2025-01-31_05-23-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5Cd59oQs/2025-01-31_05-23-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5EUX8Kuc/2025-01-31_05-23-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5D9nYrVf/2025-01-31_05-23-58/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5DX8y4qK/2025-01-31_05-23-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5EkYTG9y/2025-01-31_05-23-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5Cd59oQs/2025-01-31_05-23-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5EUX8Kuc/2025-01-31_05-23-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ae7/5CzFiYvB/5D9nYrVf/2025-01-31_05-23-58/md_0_1.cpt" ]
15473 1effd7ac-1fb1-44de-89eb-b14c51f6de4d 6if1 2025-01-31 03:11:40 2025-01-31 07:00:18 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6if1/5HEo565W/2025-01-31_03-11-39/6if1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6if1/5HEo565W/2025-01-31_03-11-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6if1/5HEo565W/2025-01-31_03-11-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6if1/5HEo565W/2025-01-31_03-11-39/6if1.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 200.38}}
{ "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.91, "temperature": 200.38 }, "water": "amber14/tip3pfb.xml" }
 -105347.8438 2025-01-31 04:37:42 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5GNeDT2Z/2025-01-31_07-00-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5DST8S6N/2025-01-31_07-00-25/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5F9nfJQE/2025-01-31_07-00-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5EbgU56i/2025-01-31_07-00-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5DS3joaF/2025-01-31_07-00-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5EEwj36U/2025-01-31_07-00-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5C5BrEUX/2025-01-31_07-00-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5EnT7oy4/2025-01-31_07-00-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5HHActHD/2025-01-31_07-00-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5CATsG1V/2025-01-31_07-00-27/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5GNeDT2Z/2025-01-31_07-00-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5DST8S6N/2025-01-31_07-00-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5F9nfJQE/2025-01-31_07-00-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5EbgU56i/2025-01-31_07-00-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5DS3joaF/2025-01-31_07-00-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5EEwj36U/2025-01-31_07-00-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5C5BrEUX/2025-01-31_07-00-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5EnT7oy4/2025-01-31_07-00-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5HHActHD/2025-01-31_07-00-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6if1/5HEo565W/5CATsG1V/2025-01-31_07-00-27/md_0_1.cpt" ]
15472 a99c2b7a-c349-4af1-b2f9-2cdba382a017 6rvn 2025-01-31 03:09:45 2025-01-31 05:09:07 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rvn/5GKH9FPP/2025-01-31_03-09-43/6rvn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rvn/5GKH9FPP/2025-01-31_03-09-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rvn/5GKH9FPP/2025-01-31_03-09-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rvn/5GKH9FPP/2025-01-31_03-09-43/6rvn.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 390.44}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 390.44 }, "water": "amber14/tip3pfb.xml" }
 -13144.3770 2025-01-31 04:16:26 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5GutyMJ2/2025-01-31_05-09-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5DU7YwrR/2025-01-31_05-09-17/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5DX8y4qK/2025-01-31_05-09-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5GNeDT2Z/2025-01-31_05-09-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5HHGSKLz/2025-01-31_05-09-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5F7eRZaJ/2025-01-31_05-09-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5GbtQBrz/2025-01-31_05-09-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5C4xDki7/2025-01-31_05-09-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5CJmAajh/2025-01-31_05-09-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5Gurm68i/2025-01-31_05-09-20/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5GutyMJ2/2025-01-31_05-09-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5DU7YwrR/2025-01-31_05-09-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5DX8y4qK/2025-01-31_05-09-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5GNeDT2Z/2025-01-31_05-09-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5HHGSKLz/2025-01-31_05-09-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5F7eRZaJ/2025-01-31_05-09-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5GbtQBrz/2025-01-31_05-09-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5C4xDki7/2025-01-31_05-09-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5CJmAajh/2025-01-31_05-09-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rvn/5GKH9FPP/5Gurm68i/2025-01-31_05-09-20/md_0_1.cpt" ]
15436 ffff7d87-edae-4421-84cc-4bf6f7de8e20 1v5p 2025-01-31 03:09:04 2025-01-31 04:39:03 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5p/5F4tQyWr/2025-01-31_03-09-03/1v5p.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5p/5F4tQyWr/2025-01-31_03-09-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5p/5F4tQyWr/2025-01-31_03-09-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5p/5F4tQyWr/2025-01-31_03-09-03/1v5p.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 205.53}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 205.53 }, "water": "charmm36/water.xml" }
 -8190.0762 2025-01-31 04:06:20 600 5 1500 1.000000 5
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rh4/5F4tQyWr/2025-01-31_03-08-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rh4/5F4tQyWr/2025-01-31_03-08-53/1rh4.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 237.17}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.02, "temperature": 237.17 }, "water": "amber14/tip4pew.xml" }
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15471 7de4cc36-dd89-4a31-8e11-1aa24545c62a 2yum 2025-01-31 03:07:20 2025-01-31 05:06:54 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yum/5GKH9FPP/2025-01-31_03-07-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yum/5GKH9FPP/2025-01-31_03-07-17/2yum.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 276.33}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 276.33 }, "water": "charmm36/water.xml" }
 -4098.8579 2025-01-31 04:33:49 600 5 1500 1.000000 5
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15432 1c1b14e8-7242-4234-8273-7afec4e2f39c 3iir 2025-01-31 03:04:53 2025-01-31 04:34:17 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3iir/5F4tQyWr/2025-01-31_03-04-52/3iir.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3iir/5F4tQyWr/2025-01-31_03-04-52/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3iir/5F4tQyWr/2025-01-31_03-04-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3iir/5F4tQyWr/2025-01-31_03-04-52/3iir.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 322.29}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 322.29 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 375.22}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 375.22 }, "water": "amber14/tip3pfb.xml" }
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15469 87f1aef5-401d-4e71-9afe-aad313e62ea5 6ota 2025-01-31 03:04:25 2025-01-31 04:51:21 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 322.42}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 322.42 }, "water": "amber14/tip3pfb.xml" }
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15468 559f90e3-5129-4b21-a4cc-b741eddf22c7 8wfv 2025-01-31 03:04:01 2025-01-31 05:47:36 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8wfv/5Cg5QgjM/2025-01-31_03-03-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8wfv/5Cg5QgjM/2025-01-31_03-03-59/8wfv.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 327.08}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 327.08 }, "water": "amber14/tip3pfb.xml" }
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15465 bd206ba0-fca3-4d54-8336-fe21c59edf11 5pnt 2025-01-31 03:02:08 2025-01-31 05:03:01 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5pnt/5GKH9FPP/2025-01-31_03-02-05/5pnt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5pnt/5GKH9FPP/2025-01-31_03-02-05/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5pnt/5GKH9FPP/2025-01-31_03-02-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5pnt/5GKH9FPP/2025-01-31_03-02-05/5pnt.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 334.71}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 334.71 }, "water": "amber14/tip3pfb.xml" }
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15464 b74fbdf4-5498-4b73-8a88-6ee21e0e28bf 8con 2025-01-31 02:57:11 2025-01-31 04:39:27 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8con/5CzFiYvB/2025-01-31_02-55-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8con/5CzFiYvB/2025-01-31_02-55-10/8con.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 226.37}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 226.37 }, "water": "charmm36/water.xml" }
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15463 09c671f7-7bdc-4312-9b3f-fc3ba28b14c1 4pad 2025-01-31 02:56:48 2025-01-31 06:53:05 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4pad/5HEo565W/2025-01-31_02-56-48/4pad.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4pad/5HEo565W/2025-01-31_02-56-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4pad/5HEo565W/2025-01-31_02-56-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4pad/5HEo565W/2025-01-31_02-56-48/4pad.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 376.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 376.16 }, "water": "amber14/tip3pfb.xml" }
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15462 41c54455-1c99-4c9c-b2c9-6923deb9f670 5kv7 2025-01-31 02:56:16 2025-01-31 05:30:21 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kv7/5GKH9FPP/2025-01-31_02-56-14/5kv7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kv7/5GKH9FPP/2025-01-31_02-56-14/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kv7/5GKH9FPP/2025-01-31_02-56-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kv7/5GKH9FPP/2025-01-31_02-56-14/5kv7.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 398.39}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 398.39 }, "water": "amber14/tip3pfb.xml" }
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15461 b1cb452b-1887-4fc9-a2cf-5419eb9f1571 1zts 2025-01-31 02:54:33 2025-01-31 04:34:28 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zts/5CzFiYvB/2025-01-31_02-52-42/1zts.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zts/5CzFiYvB/2025-01-31_02-52-42/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zts/5CzFiYvB/2025-01-31_02-52-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zts/5CzFiYvB/2025-01-31_02-52-42/1zts.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 288.82}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 288.82 }, "water": "amber14/tip3pfb.xml" }
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15460 b6fcbab1-cf9d-4239-8e56-ab42ee4a5c26 1gzl 2025-01-31 02:54:13 2025-01-31 05:25:28 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gzl/5Cg5QgjM/2025-01-31_02-54-11/1gzl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gzl/5Cg5QgjM/2025-01-31_02-54-11/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gzl/5Cg5QgjM/2025-01-31_02-54-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gzl/5Cg5QgjM/2025-01-31_02-54-11/1gzl.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 306.71}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 306.71 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3bbc/5Cg5QgjM/2025-01-31_02-53-18/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3bbc/5Cg5QgjM/2025-01-31_02-53-18/3bbc.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 333.35}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 333.35 }, "water": "amber14/tip3pfb.xml" }
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15458 3a8de646-3664-4f06-bae2-c1bb74f39cc0 7kwi 2025-01-31 02:50:22 2025-01-31 05:15:38 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kwi/5Cg5QgjM/2025-01-31_02-50-20/7kwi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kwi/5Cg5QgjM/2025-01-31_02-50-20/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kwi/5Cg5QgjM/2025-01-31_02-50-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kwi/5Cg5QgjM/2025-01-31_02-50-20/7kwi.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 363.34}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 363.34 }, "water": "amber14/tip3pfb.xml" }
 -5810.7422 2025-01-31 03:42:30 600 5 1500 1.000000 5
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15457 765b249a-dc4c-41f1-ac17-0332427d86ce 5zeo 2025-01-31 02:48:48 2025-01-31 05:14:23 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zeo/5Cg5QgjM/2025-01-31_02-48-46/5zeo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zeo/5Cg5QgjM/2025-01-31_02-48-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zeo/5Cg5QgjM/2025-01-31_02-48-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zeo/5Cg5QgjM/2025-01-31_02-48-46/5zeo.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 298.99}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 298.99 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5F4tQyWr/2025-01-31_02-48-04/4v2l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5F4tQyWr/2025-01-31_02-48-04/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5F4tQyWr/2025-01-31_02-48-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4v2l/5F4tQyWr/2025-01-31_02-48-04/4v2l.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 288.42}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 288.42 }, "water": "amber14/tip3pfb.xml" }
 -11254.1523 2025-01-31 03:30:47 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5HdfzvTF/2025-01-31_04-14-29/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5CMEJjrh/2025-01-31_04-14-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5FPK4CeE/2025-01-31_04-14-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5EWwHneX/2025-01-31_04-14-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5HpDuDJb/2025-01-31_04-14-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5FjT2qPt/2025-01-31_04-14-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5GxgkVRW/2025-01-31_04-14-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5D2utUte/2025-01-31_04-14-32/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5G3onMPU/2025-01-31_04-14-32/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4v2l/5F4tQyWr/5DXiys3z/2025-01-31_04-14-32/md_0_1.cpt" ]
Showing items 1261 to 1280 of 16728 entries