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
10444 97503be4-d492-45a2-9695-5dba47409b34 3j2x 2025-01-23 23:21:15 2025-01-24 02:03:48 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j2x/5GKH9FPP/2025-01-23_23-21-13/3j2x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j2x/5GKH9FPP/2025-01-23_23-21-13/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j2x/5GKH9FPP/2025-01-23_23-21-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j2x/5GKH9FPP/2025-01-23_23-21-13/3j2x.pdb" }
{'ff': 'amber14/protein.ff14SB.xml', 'box': 'cube', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 312.16}}
{ "box": "cube", "ff": "amber14/protein.ff14SB.xml", "system_kwargs": { "friction": 0.91, "temperature": 312.16 }, "water": "amber14/tip4pew.xml" }
 -114676.5859 2025-01-24 01:35:44 600 5 1500 1.000000 5
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10443 9d83411e-3153-4c6b-956c-fd265f3d712f 2n6f 2025-01-23 23:19:45 2025-01-24 01:43:39 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6f/5FFApaS7/2025-01-23_23-19-44/2n6f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6f/5FFApaS7/2025-01-23_23-19-44/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6f/5FFApaS7/2025-01-23_23-19-44/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6f/5FFApaS7/2025-01-23_23-19-44/2n6f.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip3p.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 273.39}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.0, "temperature": 273.39 }, "water": "amber14/tip3p.xml" }
 -12206.9160 2025-01-24 00:21:05 600 5 1500 1.000000 5
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10408 8e70174a-0133-40da-accd-e3fbf5855f43 2kk0 2025-01-23 23:18:56 2025-01-24 00:21:14 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kk0/5F4tQyWr/2025-01-23_23-18-54/2kk0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kk0/5F4tQyWr/2025-01-23_23-18-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kk0/5F4tQyWr/2025-01-23_23-18-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kk0/5F4tQyWr/2025-01-23_23-18-54/2kk0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 375.17}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 375.17 }, "water": "amber14/tip3pfb.xml" }
 -9695.6309 2025-01-23 23:53:30 600 5 1500 1.000000 5
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10406 674e9643-b3b3-4b37-be24-ee211c9ca8ab 1x8o 2025-01-23 23:16:21 2025-01-24 00:20:32 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x8o/5F4tQyWr/2025-01-23_23-16-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x8o/5F4tQyWr/2025-01-23_23-16-20/1x8o.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 366.33}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 366.33 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z7e/5F4tQyWr/2025-01-23_23-16-15/5z7e.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z7e/5F4tQyWr/2025-01-23_23-16-15/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z7e/5F4tQyWr/2025-01-23_23-16-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z7e/5F4tQyWr/2025-01-23_23-16-15/5z7e.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 356.2}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 356.2 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jiy/5HYk8DMK/2025-01-23_23-15-28/4jiy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jiy/5HYk8DMK/2025-01-23_23-15-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jiy/5HYk8DMK/2025-01-23_23-15-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jiy/5HYk8DMK/2025-01-23_23-15-28/4jiy.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 367.45}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 367.45 }, "water": "amber14/tip3pfb.xml" }
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10441 6e45d8ac-a85a-4528-b916-102ba467397e 5tab 2025-01-23 23:09:28 2025-01-24 00:02:42 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tab/5CzFiYvB/2025-01-23_23-09-26/5tab.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tab/5CzFiYvB/2025-01-23_23-09-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tab/5CzFiYvB/2025-01-23_23-09-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tab/5CzFiYvB/2025-01-23_23-09-26/5tab.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 254.47}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 254.47 }, "water": "amber14/tip3pfb.xml" }
 -1899.1941 2025-01-23 23:36:42 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tab/5CzFiYvB/5GNfrcEs/2025-01-24_00-02-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tab/5CzFiYvB/5HTmcwCy/2025-01-24_00-02-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tab/5CzFiYvB/5HawdYry/2025-01-24_00-02-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tab/5CzFiYvB/5HjbTouu/2025-01-24_00-02-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tab/5CzFiYvB/5G4kqfwh/2025-01-24_00-03-00/md_0_1.cpt" ]
10439 27d0af0f-e145-49f3-b0c2-f2a58284900e 1cm2 2025-01-23 23:08:20 2025-01-24 01:42:52 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cm2/5FFApaS7/2025-01-23_23-08-19/1cm2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cm2/5FFApaS7/2025-01-23_23-08-19/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cm2/5FFApaS7/2025-01-23_23-08-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cm2/5FFApaS7/2025-01-23_23-08-19/1cm2.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 310.24}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 310.24 }, "water": "amber14/tip3pfb.xml" }
 -6218.1245 2025-01-24 00:20:13 600 5 1500 1.000000 5
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10438 57fff06f-7b23-49e7-aa05-16f9d8d6e969 1tio 2025-01-23 23:06:38 2025-01-24 00:02:17 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tio/5CzFiYvB/2025-01-23_23-06-36/1tio.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tio/5CzFiYvB/2025-01-23_23-06-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tio/5CzFiYvB/2025-01-23_23-06-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tio/5CzFiYvB/2025-01-23_23-06-36/1tio.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 392.18}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 392.18 }, "water": "amber14/tip3pfb.xml" }
 -7822.3608 2025-01-23 23:35:45 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tio/5CzFiYvB/5ELgovom/2025-01-24_00-02-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tio/5CzFiYvB/5DU7YwrR/2025-01-24_00-02-24/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tio/5CzFiYvB/5EWQ8WQh/2025-01-24_00-02-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tio/5CzFiYvB/5DFuo6i7/2025-01-24_00-02-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tio/5CzFiYvB/5DPprcfa/2025-01-24_00-02-25/md_0_1_old.cpt" ]
10437 73e94b13-a4e9-406c-94c3-5cd3efd04bdb 4mhn 2025-01-23 23:04:12 2025-01-24 01:07:47 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mhn/5F2CsUDV/2025-01-23_23-00-15/4mhn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mhn/5F2CsUDV/2025-01-23_23-00-15/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mhn/5F2CsUDV/2025-01-23_23-00-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mhn/5F2CsUDV/2025-01-23_23-00-15/4mhn.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 386.07}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 386.07 }, "water": "amber14/tip3pfb.xml" }
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10436 6fcde9ec-114d-4d59-aaa3-d99f1777d114 5lwo 2025-01-23 23:04:06 2025-01-24 00:01:35 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lwo/5CzFiYvB/2025-01-23_23-04-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lwo/5CzFiYvB/2025-01-23_23-04-05/5lwo.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 295.8}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 295.8 }, "water": "amber14/tip3pfb.xml" }
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10434 bf9bcc05-e872-479d-9e2e-cf5fc08fb904 8ojr 2025-01-23 23:02:45 2025-01-24 01:41:57 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ojr/5FFApaS7/2025-01-23_23-02-44/8ojr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ojr/5FFApaS7/2025-01-23_23-02-44/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 329.0}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 329.0 }, "water": "amber14/tip3pfb.xml" }
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10432 50be5564-663f-4d95-9e98-167c662d57f3 5v76 2025-01-23 23:02:23 2025-01-24 01:40:56 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 206.45}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 206.45 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jyq/5GKH9FPP/2025-01-23_23-02-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jyq/5GKH9FPP/2025-01-23_23-02-10/4jyq.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 285.64}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 285.64 }, "water": "charmm36/water.xml" }
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10429 af6e7d0c-9b27-4b74-af8b-c18058cd3755 2mkv 2025-01-23 23:00:36 2025-01-24 01:34:31 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mkv/5FFApaS7/2025-01-23_23-00-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mkv/5FFApaS7/2025-01-23_23-00-35/2mkv.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 283.41}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.93, "temperature": 283.41 }, "water": "charmm36/water.xml" }
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10403 86009cf8-3fc8-4d8e-b1dd-b98715d89b00 2k8x 2025-01-23 22:58:19 2025-01-24 00:07:13 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k8x/5F4tQyWr/2025-01-23_22-58-18/2k8x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k8x/5F4tQyWr/2025-01-23_22-58-18/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k8x/5F4tQyWr/2025-01-23_22-58-18/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k8x/5F4tQyWr/2025-01-23_22-58-18/2k8x.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 383.33}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 383.33 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kdu/5F2CsUDV/2025-01-23_22-55-07/2kdu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kdu/5F2CsUDV/2025-01-23_22-55-07/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kdu/5F2CsUDV/2025-01-23_22-55-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kdu/5F2CsUDV/2025-01-23_22-55-07/2kdu.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 294.09}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 294.09 }, "water": "charmm36/water.xml" }
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10426 51a26804-5294-4320-bd36-ffd055a87dcd 1qch 2025-01-23 22:52:36 2025-01-24 00:59:32 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qch/5Cg5QgjM/2025-01-23_22-52-33/1qch.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qch/5Cg5QgjM/2025-01-23_22-52-33/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qch/5Cg5QgjM/2025-01-23_22-52-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qch/5Cg5QgjM/2025-01-23_22-52-33/1qch.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 312.72}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 312.72 }, "water": "amber14/tip3pfb.xml" }
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10425 24cb74f5-9925-47b1-bbc6-ec4103fb0aee 5b5f 2025-01-23 22:52:29 2025-01-24 00:58:58 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b5f/5Cg5QgjM/2025-01-23_22-52-27/5b5f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b5f/5Cg5QgjM/2025-01-23_22-52-27/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b5f/5Cg5QgjM/2025-01-23_22-52-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b5f/5Cg5QgjM/2025-01-23_22-52-27/5b5f.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 288.99}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 288.99 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 307.96}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 307.96 }, "water": "charmm36/water.xml" }
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Showing items 281 to 300 of 10717 entries