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
10739 cc1c5f83-f6e2-430c-8e74-492407bd09b0 2bat 2025-01-24 09:21:38 2025-01-24 13:10:31 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG
['5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU']
[ "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bat/5HYk8DMK/2025-01-24_09-21-37/2bat.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bat/5HYk8DMK/2025-01-24_09-21-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bat/5HYk8DMK/2025-01-24_09-21-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bat/5HYk8DMK/2025-01-24_09-21-37/2bat.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 245.58}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 245.58 }, "water": "charmm36/water.xml" }
 -31495.1855 2025-01-24 10:41:36 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5GxgkVRW/2025-01-24_13-10-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5H5wXPTT/2025-01-24_13-10-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5GrzLRi3/2025-01-24_13-10-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5ES6G8x2/2025-01-24_13-10-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5EjRpczo/2025-01-24_13-10-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5FRnnfyx/2025-01-24_13-10-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5CoEdgdk/2025-01-24_13-10-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5HdRGSwc/2025-01-24_13-10-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5ESEfcCx/2025-01-24_13-10-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5FH24sg8/2025-01-24_13-10-50/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5GxgkVRW/2025-01-24_13-10-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5H5wXPTT/2025-01-24_13-10-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5GrzLRi3/2025-01-24_13-10-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5ES6G8x2/2025-01-24_13-10-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5EjRpczo/2025-01-24_13-10-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5FRnnfyx/2025-01-24_13-10-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5CoEdgdk/2025-01-24_13-10-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5HdRGSwc/2025-01-24_13-10-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5ESEfcCx/2025-01-24_13-10-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bat/5HYk8DMK/5FH24sg8/2025-01-24_13-10-50/md_0_1_old.cpt" ]
10735 0b5cd598-9fd5-4b3e-b592-8d19a5aa07cf 4i4u 2025-01-24 09:17:55 2025-01-24 11:16:45 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i4u/5Cg5QgjM/2025-01-24_09-17-53/4i4u.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i4u/5Cg5QgjM/2025-01-24_09-17-53/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i4u/5Cg5QgjM/2025-01-24_09-17-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i4u/5Cg5QgjM/2025-01-24_09-17-53/4i4u.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 229.27}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 229.27 }, "water": "charmm36/water.xml" }
 -45535.0000 2025-01-24 10:15:56 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5ESEfcCx/2025-01-24_11-16-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5EaCbdDs/2025-01-24_11-16-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5GsSM359/2025-01-24_11-16-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5GeFCh4z/2025-01-24_11-16-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5CY9apyj/2025-01-24_11-16-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5HGrqUKc/2025-01-24_11-16-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5C8aeZq1/2025-01-24_11-16-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5Fv5nUTQ/2025-01-24_11-16-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5FTzckmn/2025-01-24_11-16-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4i4u/5Cg5QgjM/5EcFV1Tp/2025-01-24_11-16-50/md_0_1.cpt']
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10734 52e4967d-6894-484f-9cf6-5ac70a7bec32 1yjb 2025-01-24 09:17:05 2025-01-24 11:53:03 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yjb/5FFApaS7/2025-01-24_09-16-59/1yjb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yjb/5FFApaS7/2025-01-24_09-16-59/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yjb/5FFApaS7/2025-01-24_09-16-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yjb/5FFApaS7/2025-01-24_09-16-59/1yjb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 299.45}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 299.45 }, "water": "amber14/tip3pfb.xml" }
 -12442.6572 2025-01-24 10:39:58 600 5 1500 1.000000 5
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10733 3a5cd6c3-ca02-4af1-9dab-39e18324e3ab 8f2r 2025-01-24 09:13:56 2025-01-24 13:04:39 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8f2r/5HYk8DMK/2025-01-24_09-13-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8f2r/5HYk8DMK/2025-01-24_09-13-54/8f2r.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 335.51}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 335.51 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6s8y/5FFApaS7/2025-01-24_09-13-21/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6s8y/5FFApaS7/2025-01-24_09-13-21/6s8y.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 237.12}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.93, "temperature": 237.12 }, "water": "charmm36/water.xml" }
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10730 9fec0802-fe4b-4128-82c4-04efd72bbd12 2z6n 2025-01-24 09:08:03 2025-01-24 11:46:07 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2z6n/5FFApaS7/2025-01-24_09-07-57/2z6n.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2z6n/5FFApaS7/2025-01-24_09-07-57/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 270.68}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 270.68 }, "water": "amber14/tip3pfb.xml" }
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10729 823e216c-ba96-4ce5-a891-f211c6716378 4fcv 2025-01-24 09:07:27 2025-01-24 15:54:54 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fcv/5HEo565W/2025-01-24_09-07-26/4fcv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fcv/5HEo565W/2025-01-24_09-07-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fcv/5HEo565W/2025-01-24_09-07-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fcv/5HEo565W/2025-01-24_09-07-26/4fcv.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 250.45}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 250.45 }, "water": "amber14/tip3pfb.xml" }
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10704 7ece079a-5856-41d3-ab9c-b0e2a02fbd0c 2mtm 2025-01-24 09:06:53 2025-01-24 10:59:54 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mtm/5F4tQyWr/2025-01-24_09-06-52/2mtm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mtm/5F4tQyWr/2025-01-24_09-06-52/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mtm/5F4tQyWr/2025-01-24_09-06-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mtm/5F4tQyWr/2025-01-24_09-06-52/2mtm.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 239.37}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 239.37 }, "water": "amber14/tip3pfb.xml" }
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10728 73eac949-8ced-4da3-9a4d-30eda7e5ec12 2ac4 2025-01-24 09:04:21 2025-01-24 11:28:40 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ac4/5GKH9FPP/2025-01-24_09-04-19/2ac4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ac4/5GKH9FPP/2025-01-24_09-04-19/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ac4/5GKH9FPP/2025-01-24_09-04-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ac4/5GKH9FPP/2025-01-24_09-04-19/2ac4.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 225.33}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 225.33 }, "water": "charmm36/water.xml" }
 -11995.8320 2025-01-24 10:26:37 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5D4kFUfn/2025-01-24_11-28-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5CouGodv/2025-01-24_11-29-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5CMEJjrh/2025-01-24_11-29-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5FH24sg8/2025-01-24_11-29-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5DFuo6i7/2025-01-24_11-29-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5DsnAEMX/2025-01-24_11-29-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5FZEixsS/2025-01-24_11-29-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5EWQ8WQh/2025-01-24_11-29-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5DkvT79z/2025-01-24_11-29-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ac4/5GKH9FPP/5GBzJfFq/2025-01-24_11-29-10/md_0_1.cpt" ]
10727 b3766ee3-a6e1-4be0-8b91-89cfed3ca994 251d 2025-01-24 09:03:01 2025-01-24 11:22:57 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/251d/5GKH9FPP/2025-01-24_09-02-59/251d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/251d/5GKH9FPP/2025-01-24_09-02-59/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/251d/5GKH9FPP/2025-01-24_09-02-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/251d/5GKH9FPP/2025-01-24_09-02-59/251d.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 374.58}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 374.58 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5CATsG1V/2025-01-24_11-23-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5FcDSsb4/2025-01-24_11-23-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5GhHYpa2/2025-01-24_11-23-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5E2VPvK2/2025-01-24_11-23-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5DhPQXgo/2025-01-24_11-23-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5DU7YwrR/2025-01-24_11-23-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5EEy7nWM/2025-01-24_11-23-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5Dc8cxYU/2025-01-24_11-23-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5HHGSKLz/2025-01-24_11-23-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/251d/5GKH9FPP/5EsK8GE1/2025-01-24_11-23-08/md_0_1.cpt" ]
10726 3ddef1e4-d157-4ede-9b67-2bea704e6a31 3ldd 2025-01-24 09:02:21 2025-01-24 10:44:50 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ldd/5Cg5QgjM/2025-01-24_09-02-19/3ldd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ldd/5Cg5QgjM/2025-01-24_09-02-19/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ldd/5Cg5QgjM/2025-01-24_09-02-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ldd/5Cg5QgjM/2025-01-24_09-02-19/3ldd.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 230.72}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 230.72 }, "water": "amber14/tip3pfb.xml" }
 -5007.8418 2025-01-24 09:51:16 600 5 1500 1.000000 5
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10725 428b1d13-6785-488b-968c-bacb84b147d1 1ud7 2025-01-24 08:59:04 2025-01-24 11:22:09 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ud7/5GKH9FPP/2025-01-24_08-59-01/1ud7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ud7/5GKH9FPP/2025-01-24_08-59-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ud7/5GKH9FPP/2025-01-24_08-59-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ud7/5GKH9FPP/2025-01-24_08-59-01/1ud7.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 296.72}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 296.72 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5HEBtdd3/2025-01-24_11-22-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5EEvdk6d/2025-01-24_11-22-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5GeFCh4z/2025-01-24_11-22-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5HZ1iqya/2025-01-24_11-22-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5E4Eu5KB/2025-01-24_11-22-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5ENVJyUM/2025-01-24_11-22-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5FFZBVP6/2025-01-24_11-22-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5FRHk95S/2025-01-24_11-22-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5DdAr5Uw/2025-01-24_11-22-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5GKH9FPP/5GeqtuH4/2025-01-24_11-22-19/md_0_1.cpt" ]
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zx3/5GKH9FPP/2025-01-24_08-57-03/2zx3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zx3/5GKH9FPP/2025-01-24_08-57-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zx3/5GKH9FPP/2025-01-24_08-57-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zx3/5GKH9FPP/2025-01-24_08-57-03/2zx3.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 301.02}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 301.02 }, "water": "amber14/tip3pfb.xml" }
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10723 a828dd78-8612-436e-aa40-6c88681a023a 2v00 2025-01-24 08:57:01 2025-01-24 10:44:14 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v00/5Cg5QgjM/2025-01-24_08-56-59/2v00.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v00/5Cg5QgjM/2025-01-24_08-56-59/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v00/5Cg5QgjM/2025-01-24_08-56-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v00/5Cg5QgjM/2025-01-24_08-56-59/2v00.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 240.38}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 240.38 }, "water": "amber14/tip3pfb.xml" }
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10722 daeb01d4-1d9a-4e37-ab6e-4d4959648c48 6bl9 2025-01-24 08:55:15 2025-01-24 11:18:37 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6bl9/5GKH9FPP/2025-01-24_08-55-12/6bl9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6bl9/5GKH9FPP/2025-01-24_08-55-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6bl9/5GKH9FPP/2025-01-24_08-55-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6bl9/5GKH9FPP/2025-01-24_08-55-12/6bl9.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 202.53}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 202.53 }, "water": "amber14/tip3pfb.xml" }
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10697 2b0d884a-c6b3-49a3-94b8-2cfb09969529 1arl 2025-01-24 08:53:10 2025-01-24 10:37:15 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1arl/5F4tQyWr/2025-01-24_08-53-09/1arl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1arl/5F4tQyWr/2025-01-24_08-53-09/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1arl/5F4tQyWr/2025-01-24_08-53-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1arl/5F4tQyWr/2025-01-24_08-53-09/1arl.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 249.88}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 249.88 }, "water": "charmm36/water.xml" }
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10721 b584b031-1f4b-4e90-bd3e-9d07148c1933 2mu0 2025-01-24 08:47:06 2025-01-24 12:44:01 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mu0/5F2CsUDV/2025-01-24_08-47-04/2mu0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mu0/5F2CsUDV/2025-01-24_08-47-04/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mu0/5F2CsUDV/2025-01-24_08-47-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mu0/5F2CsUDV/2025-01-24_08-47-04/2mu0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 272.36}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 272.36 }, "water": "amber14/tip3pfb.xml" }
 -13197.3066 2025-01-24 10:43:30 600 5 1500 1.000000 5
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10720 b0080ded-5218-4156-847b-d60e2e2318b8 1hod 2025-01-24 08:44:10 2025-01-24 10:22:56 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hod/5Cg5QgjM/2025-01-24_08-44-08/1hod.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hod/5Cg5QgjM/2025-01-24_08-44-08/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hod/5Cg5QgjM/2025-01-24_08-44-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hod/5Cg5QgjM/2025-01-24_08-44-08/1hod.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 246.0}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.1, "temperature": 246.0 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6yi2/5F4tQyWr/2025-01-24_08-39-41/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6yi2/5F4tQyWr/2025-01-24_08-39-41/6yi2.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 226.35}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 226.35 }, "water": "charmm36/water.xml" }
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10719 f7e16acf-e9de-445a-86eb-788978452664 6gty 2025-01-24 08:39:14 2025-01-24 11:28:16 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gty/5FFApaS7/2025-01-24_08-39-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gty/5FFApaS7/2025-01-24_08-39-09/6gty.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 348.12}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 348.12 }, "water": "amber14/tip3pfb.xml" }
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Showing items 381 to 400 of 11111 entries