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
16618 1fbf4186-0e58-467f-a8e3-a495447b0028 1xd1 2025-02-01 16:06:17 2025-02-01 17:33:02 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY
['5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF']
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xd1/5CzFiYvB/2025-02-01_16-06-15/1xd1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xd1/5CzFiYvB/2025-02-01_16-06-15/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xd1/5CzFiYvB/2025-02-01_16-06-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xd1/5CzFiYvB/2025-02-01_16-06-15/1xd1.pdb" }
{'ff': 'charmm36.xml', 'box': 'dodecahedron', 'water': 'charmm36/tip4pew.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 259.19}}
{ "box": "dodecahedron", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 259.19 }, "water": "charmm36/tip4pew.xml" }
 -35161.8086 2025-02-01 16:53:51 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5HeMZXU8/2025-02-01_17-33-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5CoEdgdk/2025-02-01_17-33-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5EhxUCpu/2025-02-01_17-33-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5EWwHneX/2025-02-01_17-33-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5FeeZzWZ/2025-02-01_17-33-10/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5HeMZXU8/2025-02-01_17-33-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5CoEdgdk/2025-02-01_17-33-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5EhxUCpu/2025-02-01_17-33-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5EWwHneX/2025-02-01_17-33-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xd1/5CzFiYvB/5FeeZzWZ/2025-02-01_17-33-10/md_0_1_old.cpt" ]
16616 b0e194f6-9250-4668-8cfe-13134ef39019 3ddk 2025-02-01 16:04:58 2025-02-01 18:23:04 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t
['5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94']
[ "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ddk/5F2CsUDV/2025-02-01_16-04-56/3ddk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ddk/5F2CsUDV/2025-02-01_16-04-56/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ddk/5F2CsUDV/2025-02-01_16-04-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ddk/5F2CsUDV/2025-02-01_16-04-56/3ddk.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 314.39}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.04, "temperature": 314.39 }, "water": "amber14/spce.xml" }
 -71826.8828 2025-02-01 17:26:58 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5CRrGY7J/2025-02-01_18-23-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5GNeDT2Z/2025-02-01_18-23-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5EbgzxZd/2025-02-01_18-23-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5HmPbPUa/2025-02-01_18-23-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5HKMcnD5/2025-02-01_18-23-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5EsKXx7M/2025-02-01_18-23-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5G27Crdi/2025-02-01_18-23-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5DX8y4qK/2025-02-01_18-23-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5GeHm4rw/2025-02-01_18-23-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5DndzPQR/2025-02-01_18-23-23/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5CRrGY7J/2025-02-01_18-23-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5GNeDT2Z/2025-02-01_18-23-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5EbgzxZd/2025-02-01_18-23-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5HmPbPUa/2025-02-01_18-23-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5HKMcnD5/2025-02-01_18-23-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5EsKXx7M/2025-02-01_18-23-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5G27Crdi/2025-02-01_18-23-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5DX8y4qK/2025-02-01_18-23-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5GeHm4rw/2025-02-01_18-23-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ddk/5F2CsUDV/5DndzPQR/2025-02-01_18-23-23/md_0_1.cpt" ]
16615 4c056189-fdce-42dc-8e98-3ae0d55da89e 8qaq 2025-02-01 15:55:14 2025-02-01 17:53:19 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8qaq/5HYk8DMK/2025-02-01_15-55-13/8qaq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8qaq/5HYk8DMK/2025-02-01_15-55-13/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8qaq/5HYk8DMK/2025-02-01_15-55-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8qaq/5HYk8DMK/2025-02-01_15-55-13/8qaq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 296.52}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 296.52 }, "water": "amber14/tip3pfb.xml" }
 -667.2220 2025-02-01 16:49:27 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5FFFNMin/2025-02-01_17-53-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GehSP5B/2025-02-01_17-53-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GeHm4rw/2025-02-01_17-53-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5FWYXGNx/2025-02-01_17-53-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GutyMJ2/2025-02-01_17-53-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5FZoGG7x/2025-02-01_17-53-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5HGuQx5w/2025-02-01_17-53-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5CMEJjrh/2025-02-01_17-53-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GxMgpTj/2025-02-01_17-53-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5CaUeYYY/2025-02-01_17-53-27/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5FFFNMin/2025-02-01_17-53-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GehSP5B/2025-02-01_17-53-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GeHm4rw/2025-02-01_17-53-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5FWYXGNx/2025-02-01_17-53-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GutyMJ2/2025-02-01_17-53-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5FZoGG7x/2025-02-01_17-53-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5HGuQx5w/2025-02-01_17-53-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5CMEJjrh/2025-02-01_17-53-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5GxMgpTj/2025-02-01_17-53-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8qaq/5HYk8DMK/5CaUeYYY/2025-02-01_17-53-27/md_0_1_old.cpt" ]
16583 c857e376-b546-404e-8c0f-120017ee9bf8 3fqf 2025-02-01 15:54:14 2025-02-01 17:28:42 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fqf/5F4tQyWr/2025-02-01_15-54-13/3fqf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fqf/5F4tQyWr/2025-02-01_15-54-13/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fqf/5F4tQyWr/2025-02-01_15-54-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fqf/5F4tQyWr/2025-02-01_15-54-13/3fqf.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 283.18}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 283.18 }, "water": "amber14/tip3pfb.xml" }
 -11907.6348 2025-02-01 16:41:12 600 5 1500 1.000000 5
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 371.59}}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 331.77}}
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1amr/5HYk8DMK/2025-02-01_15-50-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1amr/5HYk8DMK/2025-02-01_15-50-23/1amr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 228.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 228.16 }, "water": "amber14/tip3pfb.xml" }
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16611 9d3fac9f-d12d-42e8-826b-40cdcd9c7eeb 1j1o 2025-02-01 15:49:38 2025-02-01 18:24:21 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j1o/5Cg5QgjM/2025-02-01_15-49-36/1j1o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j1o/5Cg5QgjM/2025-02-01_15-49-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j1o/5Cg5QgjM/2025-02-01_15-49-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j1o/5Cg5QgjM/2025-02-01_15-49-36/1j1o.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 385.85}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 385.85 }, "water": "charmm36/water.xml" }
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16577 8b7dda08-14ce-40e1-95b5-805488b617a6 2ld7 2025-02-01 15:49:13 2025-02-01 17:23:19 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ld7/5F4tQyWr/2025-02-01_15-49-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ld7/5F4tQyWr/2025-02-01_15-49-12/2ld7.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 382.36}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 382.36 }, "water": "charmm36/water.xml" }
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16610 d4971466-ce32-4181-b588-6674cecf0420 4mye 2025-02-01 15:47:12 2025-02-01 17:56:33 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mye/5Cg5QgjM/2025-02-01_15-47-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mye/5Cg5QgjM/2025-02-01_15-47-10/4mye.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 379.5}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 379.5 }, "water": "amber14/tip3pfb.xml" }
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16609 ce9a726f-e250-404e-a48b-dd146f5a9ee4 8rm6 2025-02-01 15:46:11 2025-02-01 17:48:14 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rm6/5F2CsUDV/2025-02-01_15-46-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rm6/5F2CsUDV/2025-02-01_15-46-09/8rm6.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 225.69}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 225.69 }, "water": "amber14/tip3pfb.xml" }
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16608 61227bf1-9f1b-4fa4-b834-972114d50098 2v33 2025-02-01 15:46:00 2025-02-01 17:46:41 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v33/5F2CsUDV/2025-02-01_15-45-57/2v33.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v33/5F2CsUDV/2025-02-01_15-45-57/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v33/5F2CsUDV/2025-02-01_15-45-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2v33/5F2CsUDV/2025-02-01_15-45-57/2v33.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 327.17}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 327.17 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 360.02}}
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i8l/5HYk8DMK/2025-02-01_15-44-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i8l/5HYk8DMK/2025-02-01_15-44-57/4i8l.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 255.94}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 255.94 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2png/5HYk8DMK/2025-02-01_15-43-24/2png.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2png/5HYk8DMK/2025-02-01_15-43-24/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2png/5HYk8DMK/2025-02-01_15-43-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2png/5HYk8DMK/2025-02-01_15-43-24/2png.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 351.19}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 351.19 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lrj/5F2CsUDV/2025-02-01_15-40-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lrj/5F2CsUDV/2025-02-01_15-40-59/2lrj.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 385.04}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 385.04 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 344.03}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 344.03 }, "water": "amber14/tip3pfb.xml" }
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16571 e448cb07-3315-4399-8426-e5c3656c2c81 7lp3 2025-02-01 15:32:24 2025-02-01 17:06:37 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lp3/5F4tQyWr/2025-02-01_15-32-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lp3/5F4tQyWr/2025-02-01_15-32-22/7lp3.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 290.5}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 290.5 }, "water": "amber14/tip3pfb.xml" }
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16601 4c5646cb-a311-4217-b27c-17a82f014173 2wkz 2025-02-01 15:31:52 2025-02-01 16:50:40 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2wkz/5CzFiYvB/2025-02-01_15-31-50/2wkz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2wkz/5CzFiYvB/2025-02-01_15-31-50/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2wkz/5CzFiYvB/2025-02-01_15-31-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2wkz/5CzFiYvB/2025-02-01_15-31-50/2wkz.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 362.44}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 362.44 }, "water": "amber14/tip3pfb.xml" }
 -12546.4512 2025-02-01 16:10:31 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2wkz/5CzFiYvB/5FZEixsS/2025-02-01_16-50-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2wkz/5CzFiYvB/5GxgkVRW/2025-02-01_16-50-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2wkz/5CzFiYvB/5GehSP5B/2025-02-01_16-50-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2wkz/5CzFiYvB/5H5wXPTT/2025-02-01_16-50-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2wkz/5CzFiYvB/5ELBjjiT/2025-02-01_16-50-57/md_0_1_old.cpt" ]
Showing items 2141 to 2160 of 18753 entries