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
15428 04b72154-1b12-45de-b293-c3b983c22c83 1r9p 2025-01-31 01:59:44 2025-01-31 04:46:11 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9p/5HEo565W/2025-01-31_01-59-43/1r9p.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9p/5HEo565W/2025-01-31_01-59-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9p/5HEo565W/2025-01-31_01-59-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9p/5HEo565W/2025-01-31_01-59-43/1r9p.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 376.63}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 376.63 }, "water": "amber14/tip3pfb.xml" }
 -4779.2104 2025-01-31 03:11:15 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5HjbTouu/2025-01-31_04-46-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5FNEiDZG/2025-01-31_04-46-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5Hh4RLJA/2025-01-31_04-46-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5Dyv2T3R/2025-01-31_04-46-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5HZ1iqya/2025-01-31_04-46-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5GsSM359/2025-01-31_04-46-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5CV8vqhD/2025-01-31_04-46-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5FLh1jsy/2025-01-31_04-46-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5D8KgSsG/2025-01-31_04-46-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9p/5HEo565W/5FPK4CeE/2025-01-31_04-46-28/md_0_1.cpt" ]
15427 8a83f4e0-422a-4a40-9886-c38d2425a8ad 7ev0 2025-01-31 01:59:05 2025-01-31 03:59:35 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ev0/5F2CsUDV/2025-01-31_01-59-03/7ev0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ev0/5F2CsUDV/2025-01-31_01-59-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ev0/5F2CsUDV/2025-01-31_01-59-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ev0/5F2CsUDV/2025-01-31_01-59-03/7ev0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 336.07}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 336.07 }, "water": "amber14/tip3pfb.xml" }
 -57411.7305 2025-01-31 03:07:37 600 5 1500 1.000000 5
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15426 1416b2a3-87bc-49fb-bc8e-fd7276d7c9cd 5ah7 2025-01-31 01:58:47 2025-01-31 04:26:53 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ah7/5GKH9FPP/2025-01-31_01-58-45/5ah7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ah7/5GKH9FPP/2025-01-31_01-58-45/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ah7/5GKH9FPP/2025-01-31_01-58-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ah7/5GKH9FPP/2025-01-31_01-58-45/5ah7.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 347.19}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 347.19 }, "water": "amber14/tip3pfb.xml" }
 -12865.8506 2025-01-31 03:25:05 600 5 1500 1.000000 5
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15384 98e393f4-1939-4c9b-bc3a-0db14fc5bd8f 1pb5 2025-01-31 01:58:11 2025-01-31 03:25:44 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pb5/5F4tQyWr/2025-01-31_01-58-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pb5/5F4tQyWr/2025-01-31_01-58-09/1pb5.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip4pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 363.15}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.02, "temperature": 363.15 }, "water": "amber14/tip4pfb.xml" }
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15425 6eea1d90-3e9b-461e-9e88-fe19b5ac23ae 2abd 2025-01-31 01:57:42 2025-01-31 03:42:41 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2abd/5CzFiYvB/2025-01-31_01-57-41/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2abd/5CzFiYvB/2025-01-31_01-57-41/2abd.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 254.52}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 254.52 }, "water": "amber14/tip3pfb.xml" }
 -7302.0820 2025-01-31 02:30:58 600 5 1500 1.000000 5
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15424 1bd652a8-5b3e-400c-b384-5f76da0a9be1 1qh3 2025-01-31 01:57:21 2025-01-31 03:54:35 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qh3/5F2CsUDV/2025-01-31_01-57-19/1qh3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qh3/5F2CsUDV/2025-01-31_01-57-19/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qh3/5F2CsUDV/2025-01-31_01-57-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qh3/5F2CsUDV/2025-01-31_01-57-19/1qh3.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 228.51}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 228.51 }, "water": "charmm36/water.xml" }
 -36475.1992 2025-01-31 03:04:09 600 5 1500 1.000000 5
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15423 ef965109-10a9-48eb-a3c5-ad442f3a9dff 8azy 2025-01-31 01:57:16 2025-01-31 04:24:46 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8azy/5GKH9FPP/2025-01-31_01-57-14/8azy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8azy/5GKH9FPP/2025-01-31_01-57-14/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8azy/5GKH9FPP/2025-01-31_01-57-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8azy/5GKH9FPP/2025-01-31_01-57-14/8azy.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 228.26}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 228.26 }, "water": "charmm36/water.xml" }
 -16528.6953 2025-01-31 03:23:22 600 5 1500 1.000000 5
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15422 e01e0d2f-e3d4-4bfb-a9f0-2dc30a441268 1nso 2025-01-31 01:55:33 2025-01-31 03:45:04 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nso/5F2CsUDV/2025-01-31_01-55-31/1nso.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nso/5F2CsUDV/2025-01-31_01-55-31/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nso/5F2CsUDV/2025-01-31_01-55-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nso/5F2CsUDV/2025-01-31_01-55-31/1nso.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 361.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 361.16 }, "water": "amber14/tip3pfb.xml" }
 -7227.5830 2025-01-31 02:40:09 600 5 1500 1.000000 5
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15421 b241d6c5-9ede-412b-ba98-fd48566a05a5 3pd6 2025-01-31 01:55:15 2025-01-31 04:40:51 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3pd6/5HYk8DMK/2025-01-31_01-55-13/3pd6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3pd6/5HYk8DMK/2025-01-31_01-55-13/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3pd6/5HYk8DMK/2025-01-31_01-55-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3pd6/5HYk8DMK/2025-01-31_01-55-13/3pd6.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 223.95}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.01, "temperature": 223.95 }, "water": "amber14/tip4pew.xml" }
 -270951.4375 2025-01-31 03:06:09 600 5 1500 1.000000 5
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15420 89c5bc38-5b8d-41d7-86da-5cf507559e77 6kyf 2025-01-31 01:54:28 2025-01-31 04:20:18 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kyf/5GKH9FPP/2025-01-31_01-54-26/6kyf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kyf/5GKH9FPP/2025-01-31_01-54-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kyf/5GKH9FPP/2025-01-31_01-54-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kyf/5GKH9FPP/2025-01-31_01-54-26/6kyf.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip4pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 381.84}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.05, "temperature": 381.84 }, "water": "amber14/tip4pfb.xml" }
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15380 163eb4c9-c487-4fae-af2c-9218560fcdcf 8rnv 2025-01-31 01:52:47 2025-01-31 03:24:42 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rnv/5F4tQyWr/2025-01-31_01-52-46/8rnv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rnv/5F4tQyWr/2025-01-31_01-52-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rnv/5F4tQyWr/2025-01-31_01-52-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rnv/5F4tQyWr/2025-01-31_01-52-46/8rnv.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 245.83}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 245.83 }, "water": "amber14/tip3pfb.xml" }
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15379 d24b6302-f918-4ad0-97c2-139ce881dfaf 3krq 2025-01-31 01:51:35 2025-01-31 03:41:07 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3krq/5F4tQyWr/2025-01-31_01-51-34/3krq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3krq/5F4tQyWr/2025-01-31_01-51-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3krq/5F4tQyWr/2025-01-31_01-51-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3krq/5F4tQyWr/2025-01-31_01-51-34/3krq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 377.52}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 377.52 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhw/5F2CsUDV/2025-01-31_01-51-05/2lhw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhw/5F2CsUDV/2025-01-31_01-51-05/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhw/5F2CsUDV/2025-01-31_01-51-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhw/5F2CsUDV/2025-01-31_01-51-05/2lhw.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 266.21}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 266.21 }, "water": "amber14/tip3pfb.xml" }
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15418 b9ec5197-a6fe-4ca3-bf53-11ca7190a868 2nan 2025-01-31 01:50:15 2025-01-31 03:03:24 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nan/5Cg5QgjM/2025-01-31_01-50-13/2nan.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nan/5Cg5QgjM/2025-01-31_01-50-13/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nan/5Cg5QgjM/2025-01-31_01-50-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nan/5Cg5QgjM/2025-01-31_01-50-13/2nan.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip4pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 355.75}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.01, "temperature": 355.75 }, "water": "amber14/tip4pfb.xml" }
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15416 c1cde897-383c-49f3-9118-a25dcf7fb339 1b2b 2025-01-31 01:46:39 2025-01-31 03:02:48 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2b/5Cg5QgjM/2025-01-31_01-46-37/1b2b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2b/5Cg5QgjM/2025-01-31_01-46-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2b/5Cg5QgjM/2025-01-31_01-46-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2b/5Cg5QgjM/2025-01-31_01-46-37/1b2b.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 268.31}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 268.31 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2c8q/5F4tQyWr/2025-01-31_01-39-47/2c8q.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2c8q/5F4tQyWr/2025-01-31_01-39-47/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2c8q/5F4tQyWr/2025-01-31_01-39-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2c8q/5F4tQyWr/2025-01-31_01-39-47/2c8q.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 244.46}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 244.46 }, "water": "charmm36/water.xml" }
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15372 6b1dcef7-25ec-4057-9c11-31309115e3db 1pvx 2025-01-31 01:39:38 2025-01-31 03:05:30 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pvx/5F4tQyWr/2025-01-31_01-36-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pvx/5F4tQyWr/2025-01-31_01-36-43/1pvx.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 336.68}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 336.68 }, "water": "amber14/tip3pfb.xml" }
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Showing items 1221 to 1240 of 16645 entries