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
15592 7518ad71-81bd-413b-b755-6b0c28b3159b 5jgs 2025-01-31 07:01:13 2025-01-31 07:59:23 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jgs/5CzFiYvB/2025-01-31_07-01-12/5jgs.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jgs/5CzFiYvB/2025-01-31_07-01-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jgs/5CzFiYvB/2025-01-31_07-01-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jgs/5CzFiYvB/2025-01-31_07-01-12/5jgs.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 270.33}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 270.33 }, "water": "amber14/tip3pfb.xml" }
 -20163.7031 2025-01-31 07:30:00 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5CkkTeB4/2025-01-31_07-59-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5FjT2qPt/2025-01-31_07-59-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5F4Vi7rw/2025-01-31_07-59-30/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5FKxjBGc/2025-01-31_07-59-31/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5G4kqfwh/2025-01-31_07-59-31/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5CkkTeB4/2025-01-31_07-59-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5FjT2qPt/2025-01-31_07-59-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5F4Vi7rw/2025-01-31_07-59-30/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5FKxjBGc/2025-01-31_07-59-31/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jgs/5CzFiYvB/5G4kqfwh/2025-01-31_07-59-31/md_0_1.cpt" ]
15591 069da774-ab81-46b6-8c91-ddfa03f15255 2l31 2025-01-31 07:00:33 2025-01-31 09:50:18 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l31/5HEo565W/2025-01-31_07-00-33/2l31.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l31/5HEo565W/2025-01-31_07-00-33/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l31/5HEo565W/2025-01-31_07-00-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l31/5HEo565W/2025-01-31_07-00-33/2l31.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 373.14}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 373.14 }, "water": "amber14/tip3pfb.xml" }
 -8657.7852 2025-01-31 08:28:03 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5DXvZ6kW/2025-01-31_09-50-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5Eq9hKu9/2025-01-31_09-50-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5ENZdoRq/2025-01-31_09-50-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5Do45VTZ/2025-01-31_09-50-24/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5D9nYrVf/2025-01-31_09-50-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5DFuo6i7/2025-01-31_09-50-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5GeqtuH4/2025-01-31_09-50-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5Gbc1Dzo/2025-01-31_09-50-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5HbgRnCL/2025-01-31_09-50-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5CX1t6qK/2025-01-31_09-50-24/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5DXvZ6kW/2025-01-31_09-50-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5Eq9hKu9/2025-01-31_09-50-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5ENZdoRq/2025-01-31_09-50-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5Do45VTZ/2025-01-31_09-50-24/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5D9nYrVf/2025-01-31_09-50-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5DFuo6i7/2025-01-31_09-50-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5GeqtuH4/2025-01-31_09-50-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5Gbc1Dzo/2025-01-31_09-50-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5HbgRnCL/2025-01-31_09-50-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l31/5HEo565W/5CX1t6qK/2025-01-31_09-50-24/md_0_1.cpt" ]
15590 ce29ee10-60fb-4f58-9c52-ac4ed5950b6c 2mze 2025-01-31 06:55:30 2025-01-31 09:18:16 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mze/5GKH9FPP/2025-01-31_06-55-28/2mze.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mze/5GKH9FPP/2025-01-31_06-55-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mze/5GKH9FPP/2025-01-31_06-55-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mze/5GKH9FPP/2025-01-31_06-55-28/2mze.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 224.36}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 224.36 }, "water": "charmm36/water.xml" }
 -15523.7100 2025-01-31 08:06:31 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5CAz8emp/2025-01-31_09-18-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5HZ1iqya/2025-01-31_09-18-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5Ew6RyYq/2025-01-31_09-18-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5ESEfcCx/2025-01-31_09-18-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5DAAjjm6/2025-01-31_09-18-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5EcDLbvR/2025-01-31_09-18-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5FFZBVP6/2025-01-31_09-18-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5F4Vi7rw/2025-01-31_09-18-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5GHdVT5q/2025-01-31_09-18-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5CouGodv/2025-01-31_09-18-57/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5CAz8emp/2025-01-31_09-18-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5HZ1iqya/2025-01-31_09-18-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5Ew6RyYq/2025-01-31_09-18-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5ESEfcCx/2025-01-31_09-18-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5DAAjjm6/2025-01-31_09-18-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5EcDLbvR/2025-01-31_09-18-49/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5FFZBVP6/2025-01-31_09-18-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5F4Vi7rw/2025-01-31_09-18-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5GHdVT5q/2025-01-31_09-18-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mze/5GKH9FPP/5CouGodv/2025-01-31_09-18-57/md_0_1.cpt" ]
15589 122bd6c0-a12e-44d0-bc17-9a3e5a2191e5 1cwm 2025-01-31 06:51:38 2025-01-31 09:13:14 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cwm/5GKH9FPP/2025-01-31_06-51-37/1cwm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cwm/5GKH9FPP/2025-01-31_06-51-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cwm/5GKH9FPP/2025-01-31_06-51-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cwm/5GKH9FPP/2025-01-31_06-51-37/1cwm.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 221.8}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 221.8 }, "water": "charmm36/water.xml" }
 -10424.3545 2025-01-31 08:02:18 600 5 1500 1.000000 5
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15549 6989e65a-83f5-49a3-b475-78b70dcda700 8bdv 2025-01-31 06:48:40 2025-01-31 08:26:44 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8bdv/5F4tQyWr/2025-01-31_06-48-39/8bdv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8bdv/5F4tQyWr/2025-01-31_06-48-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8bdv/5F4tQyWr/2025-01-31_06-48-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8bdv/5F4tQyWr/2025-01-31_06-48-39/8bdv.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 226.34}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 226.34 }, "water": "charmm36/water.xml" }
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15586 66b84d3e-3296-4bac-afef-6f1dc8e30825 2mk9 2025-01-31 06:46:17 2025-01-31 08:48:51 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mk9/5Cg5QgjM/2025-01-31_06-46-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mk9/5Cg5QgjM/2025-01-31_06-46-15/2mk9.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 345.72}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 345.72 }, "water": "amber14/tip3pfb.xml" }
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15585 61d13b8b-f7d6-4047-992a-a8c9f66d2a1f 2coa 2025-01-31 06:44:43 2025-01-31 09:08:02 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2coa/5GKH9FPP/2025-01-31_06-44-39/2coa.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2coa/5GKH9FPP/2025-01-31_06-44-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2coa/5GKH9FPP/2025-01-31_06-44-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2coa/5GKH9FPP/2025-01-31_06-44-39/2coa.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 302.84}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 302.84 }, "water": "charmm36/water.xml" }
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15584 ac7fffe5-070a-46c1-8de0-2c237740499f 5zjw 2025-01-31 06:44:38 2025-01-31 08:52:43 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zjw/5HYk8DMK/2025-01-31_06-44-37/5zjw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zjw/5HYk8DMK/2025-01-31_06-44-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zjw/5HYk8DMK/2025-01-31_06-44-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5zjw/5HYk8DMK/2025-01-31_06-44-37/5zjw.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 217.69}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 217.69 }, "water": "charmm36/water.xml" }
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15548 e0e9527e-c309-4820-93f0-31c169120d91 3g4p 2025-01-31 06:44:07 2025-01-31 08:22:48 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3g4p/5F4tQyWr/2025-01-31_06-44-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3g4p/5F4tQyWr/2025-01-31_06-44-05/3g4p.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 384.8}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 384.8 }, "water": "amber14/tip3pfb.xml" }
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15582 85daf3a1-b1b0-4b02-b7fe-0942aec65ecc 1hgb 2025-01-31 06:43:52 2025-01-31 09:30:53 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgb/5HEo565W/2025-01-31_06-43-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgb/5HEo565W/2025-01-31_06-43-52/1hgb.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 325.4}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.93, "temperature": 325.4 }, "water": "charmm36/water.xml" }
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15581 b7369c6c-0632-4369-80f3-01edfe384321 1wjm 2025-01-31 06:40:53 2025-01-31 09:13:03 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wjm/5F2CsUDV/2025-01-31_06-40-51/1wjm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wjm/5F2CsUDV/2025-01-31_06-40-51/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wjm/5F2CsUDV/2025-01-31_06-40-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wjm/5F2CsUDV/2025-01-31_06-40-51/1wjm.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 237.15}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 237.15 }, "water": "charmm36/water.xml" }
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15580 1e6a84ea-2ff2-4917-841a-3e7a0e37a97c 6rsl 2025-01-31 06:39:58 2025-01-31 09:03:31 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rsl/5GKH9FPP/2025-01-31_06-39-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rsl/5GKH9FPP/2025-01-31_06-39-56/6rsl.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 245.55}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 245.55 }, "water": "amber14/tip3pfb.xml" }
 -12773.1553 2025-01-31 07:52:39 600 5 1500 1.000000 5
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15577 4d84d5af-ce32-4092-b289-2c5457b004e6 2ezo 2025-01-31 06:30:09 2025-01-31 09:15:08 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ezo/5FFApaS7/2025-01-31_06-30-08/2ezo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ezo/5FFApaS7/2025-01-31_06-30-08/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ezo/5FFApaS7/2025-01-31_06-30-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ezo/5FFApaS7/2025-01-31_06-30-08/2ezo.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 271.04}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 271.04 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ha8/5F2CsUDV/2025-01-31_06-30-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ha8/5F2CsUDV/2025-01-31_06-30-05/1ha8.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 299.53}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 299.53 }, "water": "amber14/tip3pfb.xml" }
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15575 a480f469-45fb-43cd-a753-15de3acd32b8 6x1n 2025-01-31 06:30:04 2025-01-31 09:14:21 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 359.32}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 359.32 }, "water": "amber14/tip3pfb.xml" }
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15574 ad83e1cf-828e-4a4a-8655-6ce4046e1882 3aks 2025-01-31 06:29:51 2025-01-31 09:06:54 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3aks/5F2CsUDV/2025-01-31_06-29-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3aks/5F2CsUDV/2025-01-31_06-29-49/3aks.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 256.94}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 256.94 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 226.32}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 226.32 }, "water": "charmm36/water.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 286.18}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 286.18 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oc8/5CzFiYvB/2025-01-31_06-24-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oc8/5CzFiYvB/2025-01-31_06-24-14/7oc8.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 395.71}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 395.71 }, "water": "amber14/tip3pfb.xml" }
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15569 70e77a6f-6592-491a-a014-c5a58f571a1b 4bxv 2025-01-31 06:25:28 2025-01-31 09:13:08 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4bxv/5HEo565W/2025-01-31_06-25-28/4bxv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4bxv/5HEo565W/2025-01-31_06-25-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4bxv/5HEo565W/2025-01-31_06-25-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4bxv/5HEo565W/2025-01-31_06-25-28/4bxv.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 213.62}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 213.62 }, "water": "amber14/tip3pfb.xml" }
 -17352.4648 2025-01-31 07:34:11 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5Gy8GULq/2025-01-31_09-13-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5H4BcoLo/2025-01-31_09-13-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5G9WyBQN/2025-01-31_09-13-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5DP1wQun/2025-01-31_09-13-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5Hh4RLJA/2025-01-31_09-13-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5ESEfcCx/2025-01-31_09-13-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5E7u7wM5/2025-01-31_09-13-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5GjWuUXL/2025-01-31_09-13-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5DEyuVfF/2025-01-31_09-13-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4bxv/5HEo565W/5EsK8GE1/2025-01-31_09-13-14/md_0_1.cpt" ]
Showing items 1321 to 1340 of 16905 entries