| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 15841 | af37ff9a-0f8c-4917-8c4a-e023f6d6f8c3 | 2dmt | 2025-01-31 14:00:06 | 2025-01-31 15:57:10 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dmt/5Cg5QgjM/2025-01-31_14-00-03/2dmt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dmt/5Cg5QgjM/2025-01-31_14-00-03/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 349.07}}
|
-4839.3086 | 2025-01-31 14:47:22 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5Gb5EGGA/2025-01-31_15-57-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5GbtQBrz/2025-01-31_15-57-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5DAAjjm6/2025-01-31_15-57-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5EhomZa6/2025-01-31_15-57-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5FdvaRoH/2025-01-31_15-57-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5DS3joaF/2025-01-31_15-57-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5FqatghH/2025-01-31_15-57-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5FRHk95S/2025-01-31_15-57-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5DkvT79z/2025-01-31_15-57-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmt/5Cg5QgjM/5HEBtdd3/2025-01-31_15-57-14/md_0_1.cpt']
|
| 15840 | 74bf3130-33cc-4ce4-b279-bfff0ff42c5e | 2qd6 | 2025-01-31 13:58:34 | 2025-01-31 16:01:40 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qd6/5HYk8DMK/2025-01-31_13-58-33/2qd6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qd6/5HYk8DMK/2025-01-31_13-58-33/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 220.46}}
|
-15928.8145 | 2025-01-31 14:48:39 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15839 | c62e7973-8f0d-46f8-92e7-762420063b62 | 1x5d | 2025-01-31 13:57:51 | 2025-01-31 16:03:24 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x5d/5HEo565W/2025-01-31_13-57-50/1x5d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x5d/5HEo565W/2025-01-31_13-57-50/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 329.23}}
|
-3939.7620 | 2025-01-31 14:56:18 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5EWwHneX/2025-01-31_16-03-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5GpsZaPf/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5GrzLRi3/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5CAz8emp/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5Gseg5jc/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5HYkJT1S/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5Gdn7dSR/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5HGrqUKc/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5DhPQXgo/2025-01-31_16-03-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5d/5HEo565W/5DEyuVfF/2025-01-31_16-03-30/md_0_1.cpt']
|
| 15838 | 85e1d558-ebd2-4ed7-a1dc-61e207d1d5aa | 2e6q | 2025-01-31 13:57:27 | 2025-01-31 15:59:47 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e6q/5HYk8DMK/2025-01-31_13-57-25/2e6q.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e6q/5HYk8DMK/2025-01-31_13-57-25/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 278.59}}
|
-4162.8042 | 2025-01-31 14:47:04 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5CATsG1V/2025-01-31_15-59-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5G4kqfwh/2025-01-31_15-59-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5FvepbgL/2025-01-31_15-59-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5EaCbdDs/2025-01-31_15-59-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5EEwj36U/2025-01-31_15-59-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5FKxjBGc/2025-01-31_15-59-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5Do45VTZ/2025-01-31_15-59-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5EWQ8WQh/2025-01-31_15-59-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5DUmNo3Q/2025-01-31_15-59-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2e6q/5HYk8DMK/5FxpkNkq/2025-01-31_15-59-57/md_0_1_old.cpt']
|
| 15837 | b684d54a-4816-433f-92a2-56e4beea1482 | 8cwe | 2025-01-31 13:52:13 | 2025-01-31 17:33:32 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cwe/5GKH9FPP/2025-01-31_13-52-11/8cwe.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cwe/5GKH9FPP/2025-01-31_13-52-11/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 200.23}}
|
-14832.1465 | 2025-01-31 15:29:07 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15836 | 2fba75d3-5f1d-47ea-b5de-6e871b835603 | 3htp | 2025-01-31 13:52:06 | 2025-01-31 17:32:03 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3htp/5GKH9FPP/2025-01-31_13-51-20/3htp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3htp/5GKH9FPP/2025-01-31_13-51-20/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 291.02}}
|
-40741.5078 | 2025-01-31 15:27:55 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15835 | 79760428-c7a8-4844-8f5c-a35d0b2acbd6 | 3kpp | 2025-01-31 13:47:01 | 2025-01-31 15:30:51 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpp/5HEo565W/2025-01-31_13-47-00/3kpp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpp/5HEo565W/2025-01-31_13-47-00/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 203.68}}
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-47761.6953 | 2025-01-31 14:30:26 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15834 | e8d8d02e-d48f-4ebc-8da1-d875943f34a4 | 1vnd | 2025-01-31 13:45:05 | 2025-01-31 16:03:38 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vnd/5FFApaS7/2025-01-31_13-45-04/1vnd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vnd/5FFApaS7/2025-01-31_13-45-04/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 240.07}}
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-8023.4253 | 2025-01-31 14:54:45 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15833 | 15a0c695-60ea-42dc-a3aa-7b0210c16ac9 | 3gbk | 2025-01-31 13:44:20 | 2025-01-31 17:28:46 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3gbk/5GKH9FPP/2025-01-31_13-44-14/3gbk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3gbk/5GKH9FPP/2025-01-31_13-44-14/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 364.31}}
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-18846.2461 | 2025-01-31 15:25:00 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15832 | 10d1c30b-96a5-4856-b051-dad8210818ab | 8bgx | 2025-01-31 13:43:06 | 2025-01-31 17:22:17 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8bgx/5GKH9FPP/2025-01-31_13-42-57/8bgx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8bgx/5GKH9FPP/2025-01-31_13-42-57/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 240.43}}
|
-68544.9219 | 2025-01-31 15:20:12 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15801 | 016fbc03-d371-4ac9-8566-95c1cee39538 | 1j01 | 2025-01-31 13:41:31 | 2025-01-31 17:05:28 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j01/5F4tQyWr/2025-01-31_13-41-30/1j01.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j01/5F4tQyWr/2025-01-31_13-41-30/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 348.25}}
|
-23377.0898 | 2025-01-31 15:24:42 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15830 | d01cb08a-51fe-4c7c-aed2-3679256a845a | 2oh8 | 2025-01-31 13:40:16 | 2025-01-31 16:00:25 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2oh8/5FFApaS7/2025-01-31_13-40-15/2oh8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2oh8/5FFApaS7/2025-01-31_13-40-15/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 202.97}}
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-12252.4414 | 2025-01-31 14:52:28 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15798 | ca0d9b86-dede-4876-b145-e5035c91eb43 | 2ymz | 2025-01-31 13:39:33 | 2025-01-31 17:03:28 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ymz/5F4tQyWr/2025-01-31_13-39-32/2ymz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ymz/5F4tQyWr/2025-01-31_13-39-32/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 312.79}}
|
-40567.8867 | 2025-01-31 15:22:50 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15829 | 867ce578-bf7b-4744-b34e-af876cb12a24 | 6fj4 | 2025-01-31 13:38:37 | 2025-01-31 15:59:24 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fj4/5FFApaS7/2025-01-31_13-38-36/6fj4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fj4/5FFApaS7/2025-01-31_13-38-36/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 235.07}}
|
-8481.5410 | 2025-01-31 15:12:08 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15828 | 538f9704-2089-4fd1-997d-0565e847cbbc | 7a9s | 2025-01-31 13:36:36 | 2025-01-31 15:21:36 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7a9s/5Cg5QgjM/2025-01-31_13-36-34/7a9s.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7a9s/5Cg5QgjM/2025-01-31_13-36-34/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 219.58}}
|
-6830.4800 | 2025-01-31 14:31:36 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15789 | 91c439d2-4270-4853-8cac-ab547ca95720 | 4jjo | 2025-01-31 13:34:08 | 2025-01-31 16:50:48 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jjo/5F4tQyWr/2025-01-31_13-34-04/4jjo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jjo/5F4tQyWr/2025-01-31_13-34-04/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 260.41}}
|
-12912.7979 | 2025-01-31 15:13:36 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15827 | 88f0fb98-f9d4-43e2-af3b-5afd82ddd950 | 1maq | 2025-01-31 13:31:06 | 2025-01-31 15:11:04 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1maq/5HYk8DMK/2025-01-31_13-31-05/1maq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1maq/5HYk8DMK/2025-01-31_13-31-05/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 222.4}}
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-39412.0234 | 2025-01-31 14:09:38 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15826 | b7c779b0-661e-4e84-a50f-364eb83d2612 | 4twy | 2025-01-31 13:29:56 | 2025-01-31 18:34:09 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4twy/5CzFiYvB/2025-01-31_13-29-54/4twy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4twy/5CzFiYvB/2025-01-31_13-29-54/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 339.27}}
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-8571.6191 | 2025-01-31 17:59:50 | 600 | 6 | 1500 | 1.000000 | 5 |
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| 15825 | 53872439-5e8b-40e1-9a56-a05dfce15a10 | 2vmy | 2025-01-31 13:29:42 | 2025-01-31 15:09:33 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2vmy/5HYk8DMK/2025-01-31_13-29-40/2vmy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2vmy/5HYk8DMK/2025-01-31_13-29-40/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 246.05}}
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-51816.5781 | 2025-01-31 14:24:01 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15824 | e683f3a6-85fa-4a80-83a2-2e633f893dab | 3ioq | 2025-01-31 13:29:35 | 2025-01-31 18:18:56 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ioq/5CzFiYvB/2025-01-31_13-29-33/3ioq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ioq/5CzFiYvB/2025-01-31_13-29-33/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 214.66}}
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-20482.9629 | 2025-01-31 17:43:39 | 600 | 5 | 1500 | 1.000000 | 5 |
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