| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10333 | 6f916980-3b96-4f22-b61d-2a36945ed287 | 6k9w | 2025-01-23 19:49:16 | 2025-01-23 22:22:52 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6k9w/5FFApaS7/2025-01-23_19-49-10/6k9w.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6k9w/5FFApaS7/2025-01-23_19-49-10/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 368.61}}
|
-2148.1785 | 2025-01-23 21:55:30 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5FKxjBGc/2025-01-23_22-23-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GhHYpa2/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5DdAr5Uw/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GxjqYXt/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5CkvSoEP/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5CaPMXwr/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5HWFxVD3/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GpsZaPf/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5Dce7pxY/2025-01-23_22-23-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5ENVJyUM/2025-01-23_22-23-05/md_0_1_old.cpt']
|
| 10332 | 6809e526-3db9-48b9-bced-6abfe303360a | 8pbv | 2025-01-23 19:45:04 | 2025-01-23 21:25:07 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pbv/5CzFiYvB/2025-01-23_19-45-02/8pbv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pbv/5CzFiYvB/2025-01-23_19-45-02/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 376.82}}
|
-9274.6084 | 2025-01-23 20:39:58 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5HYficC7/2025-01-23_21-25-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5DhNncUE/2025-01-23_21-25-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5EEwj36U/2025-01-23_21-25-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5GjSmYTj/2025-01-23_21-25-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5EEy7nWM/2025-01-23_21-25-14/md_0_1.cpt']
|
| 10331 | a5805f59-0f28-4721-8caf-f06b05dc016c | 3hvx | 2025-01-23 19:43:59 | 2025-01-23 21:28:42 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hvx/5HYk8DMK/2025-01-23_19-43-57/3hvx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hvx/5HYk8DMK/2025-01-23_19-43-57/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 304.8}}
|
-47070.5352 | 2025-01-23 20:55:14 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5EnT7oy4/2025-01-23_21-28-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5Gseg5jc/2025-01-23_21-28-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5HpDuDJb/2025-01-23_21-28-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DyitGMU/2025-01-23_21-28-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5EWQ8WQh/2025-01-23_21-28-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DJ6gt2p/2025-01-23_21-28-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5C5mW9ze/2025-01-23_21-28-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DXiys3z/2025-01-23_21-29-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5CJmAajh/2025-01-23_21-29-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5Gbc1Dzo/2025-01-23_21-29-00/md_0_1.cpt']
|
| 10330 | ef8326c8-8cb1-4cdd-9293-cc2365e519f8 | 5u5s | 2025-01-23 19:38:20 | 2025-01-23 22:19:56 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5u5s/5Cg5QgjM/2025-01-23_19-38-18/5u5s.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5u5s/5Cg5QgjM/2025-01-23_19-38-18/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 216.42}}
|
-9263.8438 | 2025-01-23 20:47:42 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5HonwvyF/2025-01-23_22-19-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5HHActHD/2025-01-23_22-19-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5H5wXPTT/2025-01-23_22-19-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5CD6SYMs/2025-01-23_22-19-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5Eji3erb/2025-01-23_22-19-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5CoEdgdk/2025-01-23_22-19-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5DJ6gt2p/2025-01-23_22-20-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5GTWqP6S/2025-01-23_22-20-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5G9iNxym/2025-01-23_22-20-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5u5s/5Cg5QgjM/5DkvT79z/2025-01-23_22-20-01/md_0_1.cpt']
|
| 10329 | 5dd1bb63-8cb5-46f0-a8fe-f858cad0f47c | 1p82 | 2025-01-23 19:37:10 | 2025-01-23 22:37:09 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1p82/5F2CsUDV/2025-01-23_19-37-08/1p82.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1p82/5F2CsUDV/2025-01-23_19-37-08/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 296.4}}
|
-1449.3567 | 2025-01-23 21:19:44 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5D4kFUfn/2025-01-23_22-37-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5DXvZ6kW/2025-01-23_22-37-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5Gdn7dSR/2025-01-23_22-37-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5Fn13c2T/2025-01-23_22-37-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5D4pv1fQ/2025-01-23_22-37-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5CZtKjxZ/2025-01-23_22-37-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5FjT2qPt/2025-01-23_22-37-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5CkvSoEP/2025-01-23_22-37-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5GGb3rhZ/2025-01-23_22-37-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1p82/5F2CsUDV/5C4xDki7/2025-01-23_22-37-20/md_0_1.cpt']
|
| 10328 | 6b768f0a-cfc7-4b6c-bcfb-3f3079ccdeae | 2ijd | 2025-01-23 19:34:41 | 2025-01-23 22:48:42 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ijd/5Cg5QgjM/2025-01-23_19-34-38/2ijd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ijd/5Cg5QgjM/2025-01-23_19-34-38/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 217.36}}
|
-118096.3359 | 2025-01-23 21:55:08 | 600 | 7 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5DndzPQR/2025-01-23_22-48-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5GrzLRi3/2025-01-23_22-48-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5C5BrEUX/2025-01-23_22-49-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5EsK8GE1/2025-01-23_22-49-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5EEvdk6d/2025-01-23_22-49-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5EyWAbu3/2025-01-23_22-49-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5FFFNMin/2025-01-23_22-49-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5DhPQXgo/2025-01-23_22-49-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5CJmAajh/2025-01-23_22-49-08/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ijd/5Cg5QgjM/5HdFjgzv/2025-01-23_22-49-08/md_0_1.cpt']
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| 10326 | b0ccfa0e-d318-43a4-81e5-eb2b646c902e | 1ce3 | 2025-01-23 19:33:49 | 2025-01-23 21:27:05 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ce3/5HYk8DMK/2025-01-23_19-33-48/1ce3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ce3/5HYk8DMK/2025-01-23_19-33-48/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 348.57}}
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-4993.7114 | 2025-01-23 20:36:48 | 600 | 5 | 1500 | 1.000000 | 5 |
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 309.45}}
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-12579.0947 | 2025-01-23 20:35:37 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10323 | 07fa6df4-f580-407e-885a-531327e7bf0f | 5zpe | 2025-01-23 19:32:14 | 2025-01-23 22:38:27 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM |
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 363.62}}
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-73600.4219 | 2025-01-23 21:45:33 | 600 | 7 | 1500 | 1.000000 | 5 |
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| 10322 | 2b4304cf-c6e5-4bed-81e5-48a582324fa8 | 8as1 | 2025-01-23 19:32:01 | 2025-01-23 22:36:36 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8as1/5GKH9FPP/2025-01-23_19-31-59/8as1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8as1/5GKH9FPP/2025-01-23_19-31-59/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 398.04}}
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-11938.1758 | 2025-01-23 21:19:04 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10321 | bf89f638-3bb8-437c-92ff-fd1ac75cea5f | 7eyp | 2025-01-23 19:28:24 | 2025-01-23 21:24:52 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7eyp/5HYk8DMK/2025-01-23_19-28-23/7eyp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7eyp/5HYk8DMK/2025-01-23_19-28-23/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 296.73}}
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-7897.5776 | 2025-01-23 20:34:06 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10320 | 4037f428-989b-4efe-9bc9-e45ec58d7e7e | 3lth | 2025-01-23 19:26:54 | 2025-01-23 21:36:13 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lth/5Cg5QgjM/2025-01-23_19-26-52/3lth.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lth/5Cg5QgjM/2025-01-23_19-26-52/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 257.96}}
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-38573.0586 | 2025-01-23 20:32:56 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10319 | ba0267e8-1b82-49a9-b538-dd9116af9fdf | 1fp9 | 2025-01-23 19:25:07 | 2025-01-23 21:34:16 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fp9/5Cg5QgjM/2025-01-23_19-25-05/1fp9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fp9/5Cg5QgjM/2025-01-23_19-25-05/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 346.79}}
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-29212.9199 | 2025-01-23 20:03:27 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10318 | 147e845d-b596-4a3e-8963-85b1e3c98ff9 | 1tch | 2025-01-23 19:24:33 | 2025-01-23 22:31:59 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tch/5GKH9FPP/2025-01-23_19-24-31/1tch.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tch/5GKH9FPP/2025-01-23_19-24-31/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 225.03}}
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-1569.9285 | 2025-01-23 21:14:04 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10317 | eb35c48b-cd3a-4987-8f33-94f42fe804b2 | 1h70 | 2025-01-23 19:22:28 | 2025-01-23 22:30:36 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h70/5GKH9FPP/2025-01-23_19-22-26/1h70.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h70/5GKH9FPP/2025-01-23_19-22-26/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 387.19}}
|
-16565.0781 | 2025-01-23 21:12:47 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10316 | 108da2e5-c00c-43e3-a3d4-06fe43238cc9 | 8rae | 2025-01-23 19:20:15 | 2025-01-23 21:23:50 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rae/5HYk8DMK/2025-01-23_19-20-14/8rae.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rae/5HYk8DMK/2025-01-23_19-20-14/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 223.06}}
|
-11154.2373 | 2025-01-23 20:32:42 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 10315 | d58a6658-4d03-42df-bf95-71609fe884d5 | 1ksz | 2025-01-23 19:18:13 | 2025-01-23 21:28:03 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ksz/5Cg5QgjM/2025-01-23_19-18-11/1ksz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ksz/5Cg5QgjM/2025-01-23_19-18-11/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 343.42}}
|
-30786.9043 | 2025-01-23 19:59:11 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10314 | 6585b320-0756-4e6f-90b1-b7317d6676ef | 1aob | 2025-01-23 19:13:57 | 2025-01-23 21:04:17 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aob/5CzFiYvB/2025-01-23_19-13-55/1aob.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aob/5CzFiYvB/2025-01-23_19-13-55/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 217.56}}
|
-17570.8535 | 2025-01-23 20:38:37 | 600 | 6 | 1500 | 1.000000 | 5 |
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| 10313 | 2b58b24d-f22d-4394-8937-79388c98f95a | 2lzh | 2025-01-23 19:13:49 | 2025-01-23 21:50:23 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzh/5FFApaS7/2025-01-23_19-13-44/2lzh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzh/5FFApaS7/2025-01-23_19-13-44/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 305.32}}
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-11214.9199 | 2025-01-23 20:49:28 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 10312 | fcc1a5c4-8c0b-4cc4-a290-5a18fa929eb4 | 2g6p | 2025-01-23 19:12:12 | 2025-01-23 20:33:54 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g6p/5CzFiYvB/2025-01-23_19-12-10/2g6p.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g6p/5CzFiYvB/2025-01-23_19-12-10/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 321.85}}
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-27087.3535 | 2025-01-23 19:58:45 | 600 | 5 | 1500 | 1.000000 | 5 |
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