| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 15645 | efcd1595-695b-4ead-bf27-c4c632081168 | 118d | 2025-01-31 08:17:45 | 2025-01-31 10:07:34 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/118d/5GKH9FPP/2025-01-31_08-17-44/118d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/118d/5GKH9FPP/2025-01-31_08-17-44/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 226.04}}
|
-2696.2803 | 2025-01-31 09:27:04 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5HonwvyF/2025-01-31_10-07-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5FBis2fY/2025-01-31_10-07-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5E2VPvK2/2025-01-31_10-07-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5EqEJuYc/2025-01-31_10-07-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5EaCbdDs/2025-01-31_10-07-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5GhHYpa2/2025-01-31_10-07-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5ExkyH3g/2025-01-31_10-07-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5EhomZa6/2025-01-31_10-07-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5FTzckmn/2025-01-31_10-07-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/118d/5GKH9FPP/5E4Eu5KB/2025-01-31_10-07-44/md_0_1.cpt']
|
| 15644 | bf3a612a-fa9e-4916-bfb1-3f42cdb7f4c9 | 1l1c | 2025-01-31 08:17:14 | 2025-01-31 10:37:13 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l1c/5FFApaS7/2025-01-31_08-17-12/1l1c.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l1c/5FFApaS7/2025-01-31_08-17-12/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 321.94}}
|
-17717.0098 | 2025-01-31 09:31:50 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5FcDSsb4/2025-01-31_10-37-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5D2utUte/2025-01-31_10-37-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5GvDM9XH/2025-01-31_10-37-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5Fuos1nD/2025-01-31_10-37-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5FFZBVP6/2025-01-31_10-37-24/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5Cd59oQs/2025-01-31_10-37-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5CouGodv/2025-01-31_10-37-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5Ca47zJP/2025-01-31_10-37-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5F4Vi7rw/2025-01-31_10-37-24/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l1c/5FFApaS7/5DdAr5Uw/2025-01-31_10-37-25/md_0_1.cpt']
|
| 15642 | 464facd7-49d0-4cf8-8abb-d29dd4a01a7d | 5vln | 2025-01-31 08:15:29 | 2025-01-31 09:24:55 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5CfkPeMzTvgm6snXwX6TCniwHdRybk4aFpnx3dpARv1hMqLh |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5vln/5CzFiYvB/2025-01-31_08-15-27/5vln.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5vln/5CzFiYvB/2025-01-31_08-15-27/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 297.07}}
|
-9419.2305 | 2025-01-31 08:45:48 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5vln/5CzFiYvB/5CfkPeMz/2025-01-31_09-25-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5vln/5CzFiYvB/5Ca47zJP/2025-01-31_09-25-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5vln/5CzFiYvB/5CAz8emp/2025-01-31_09-25-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5vln/5CzFiYvB/5Eji3erb/2025-01-31_09-25-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5vln/5CzFiYvB/5HNjFXXT/2025-01-31_09-25-02/md_0_1_old.cpt']
|
| 15641 | 3aeea716-1fde-46d6-aece-07d2905ab253 | 1s3u | 2025-01-31 08:14:21 | 2025-01-31 09:24:34 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1s3u/5CzFiYvB/2025-01-31_08-14-19/1s3u.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1s3u/5CzFiYvB/2025-01-31_08-14-19/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 218.44}}
|
-19467.0586 | 2025-01-31 08:45:29 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s3u/5CzFiYvB/5D2utUte/2025-01-31_09-24-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s3u/5CzFiYvB/5Gx3DkGG/2025-01-31_09-24-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s3u/5CzFiYvB/5E4Eu5KB/2025-01-31_09-24-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s3u/5CzFiYvB/5EEy7nWM/2025-01-31_09-24-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s3u/5CzFiYvB/5HQV4JrB/2025-01-31_09-24-42/md_0_1.cpt']
|
| 15640 | 88020a9d-e877-4401-aa5f-4baf472bef5a | 3zj1 | 2025-01-31 08:11:38 | 2025-01-31 10:31:11 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3zj1/5HYk8DMK/2025-01-31_08-11-37/3zj1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3zj1/5HYk8DMK/2025-01-31_08-11-37/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 345.39}}
|
-7323.7349 | 2025-01-31 09:12:33 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5DX8y4qK/2025-01-31_10-31-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5FqatghH/2025-01-31_10-31-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5HYkJT1S/2025-01-31_10-31-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5ENZdoRq/2025-01-31_10-31-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5DFuo6i7/2025-01-31_10-31-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5G4kqfwh/2025-01-31_10-31-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5C4xDki7/2025-01-31_10-31-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5ESEfcCx/2025-01-31_10-31-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5FKxjBGc/2025-01-31_10-31-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3zj1/5HYk8DMK/5HTGnSe5/2025-01-31_10-31-21/md_0_1.cpt']
|
| 15639 | aa03ef57-d2c5-4ba4-9c06-968f4bab66fc | 1amq | 2025-01-31 08:11:22 | 2025-01-31 10:55:42 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1amq/5HEo565W/2025-01-31_08-11-21/1amq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1amq/5HEo565W/2025-01-31_08-11-21/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 235.64}}
|
-41015.8906 | 2025-01-31 09:09:22 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5ELBjjiT/2025-01-31_10-55-47/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5GhHYpa2/2025-01-31_10-55-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5EhxUCpu/2025-01-31_10-55-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5H3NbTt2/2025-01-31_10-55-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5FU5QKcT/2025-01-31_10-55-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5CcabLox/2025-01-31_10-55-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5DRY6eG3/2025-01-31_10-55-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5CHpNaFM/2025-01-31_10-55-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5F6bUfiS/2025-01-31_10-55-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1amq/5HEo565W/5CkvSoEP/2025-01-31_10-55-48/md_0_1.cpt']
|
| 15638 | 870f5fa3-c143-4ca3-aa4c-c66077311205 | 4xjz | 2025-01-31 08:09:27 | 2025-01-31 11:17:45 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xjz/5Cg5QgjM/2025-01-31_08-09-25/4xjz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xjz/5Cg5QgjM/2025-01-31_08-09-25/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 377.58}}
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-22373.3789 | 2025-01-31 10:38:11 | 600 | 6 | 1500 | 1.000000 | 5 |
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| 15595 | 40e2e70e-f924-49e2-9beb-f6b4d229789b | 4awn | 2025-01-31 08:07:31 | 2025-01-31 09:40:57 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4awn/5F4tQyWr/2025-01-31_08-07-30/4awn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4awn/5F4tQyWr/2025-01-31_08-07-30/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 342.95}}
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-14554.8828 | 2025-01-31 08:57:59 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15635 | 0dc4b80e-e079-441d-aa08-6adcc6b3ebbe | 8fsy | 2025-01-31 08:06:12 | 2025-01-31 10:50:13 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fsy/5Cg5QgjM/2025-01-31_08-06-10/8fsy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fsy/5Cg5QgjM/2025-01-31_08-06-10/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 375.21}}
|
-8259.8066 | 2025-01-31 09:15:34 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15634 | 97f3b51b-8c5e-49fb-806b-a5efd9a5397d | 3mos | 2025-01-31 08:05:33 | 2025-01-31 11:37:54 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3mos/5F2CsUDV/2025-01-31_08-05-31/3mos.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3mos/5F2CsUDV/2025-01-31_08-05-31/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 366.58}}
|
-42319.7461 | 2025-01-31 09:48:34 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15633 | d19fe0f6-af44-491f-aad5-7de62f1f72df | 2kak | 2025-01-31 08:05:23 | 2025-01-31 10:25:49 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kak/5HYk8DMK/2025-01-31_08-05-22/2kak.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kak/5HYk8DMK/2025-01-31_08-05-22/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 212.32}}
|
-4112.7505 | 2025-01-31 09:56:54 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15632 | bac70c6a-af30-4747-ab1c-41b4e8bef50c | 2n78 | 2025-01-31 08:04:36 | 2025-01-31 10:47:14 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n78/5Cg5QgjM/2025-01-31_08-04-34/2n78.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n78/5Cg5QgjM/2025-01-31_08-04-34/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 373.15}}
|
-8465.1787 | 2025-01-31 09:12:37 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15631 | a8c4c32c-87ff-429c-87eb-ee18e4261bad | 4hxs | 2025-01-31 08:02:44 | 2025-01-31 09:11:58 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hxs/5CzFiYvB/2025-01-31_08-02-23/4hxs.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hxs/5CzFiYvB/2025-01-31_08-02-23/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 210.76}}
|
-12521.6758 | 2025-01-31 08:44:48 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15630 | e1204ca7-af86-4d61-8204-523753aede35 | 3do2 | 2025-01-31 08:01:48 | 2025-01-31 11:34:01 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3do2/5F2CsUDV/2025-01-31_08-01-46/3do2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3do2/5F2CsUDV/2025-01-31_08-01-46/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 292.31}}
|
-11323.5957 | 2025-01-31 09:44:57 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15629 | 70f0585d-4561-4f70-8d9a-10e29bfe797b | 1itx | 2025-01-31 08:00:14 | 2025-01-31 09:11:28 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1itx/5CzFiYvB/2025-01-31_08-00-12/1itx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1itx/5CzFiYvB/2025-01-31_08-00-12/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 367.19}}
|
-25769.8066 | 2025-01-31 08:44:19 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15628 | f8e847ed-1fc3-4518-96cf-e1aece645105 | 1cj1 | 2025-01-31 07:57:10 | 2025-01-31 11:27:42 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cj1/5F2CsUDV/2025-01-31_07-55-29/1cj1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cj1/5F2CsUDV/2025-01-31_07-55-29/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 213.12}}
|
-128337.4375 | 2025-01-31 09:39:02 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15627 | 2228fc0e-ed36-4227-91f6-2af22995dfd0 | 3fvj | 2025-01-31 07:53:33 | 2025-01-31 10:20:35 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fvj/5HYk8DMK/2025-01-31_07-53-31/3fvj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fvj/5HYk8DMK/2025-01-31_07-53-31/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 378.11}}
|
-9002.8906 | 2025-01-31 09:29:29 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15626 | 23d5747d-75fe-4001-92bc-bdd1a2639abc | 4q8s | 2025-01-31 07:52:24 | 2025-01-31 10:26:17 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4q8s/5Cg5QgjM/2025-01-31_07-52-22/4q8s.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4q8s/5Cg5QgjM/2025-01-31_07-52-22/em.cpt'}
|
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/opc.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 265.48}}
|
-141048.0156 | 2025-01-31 09:49:42 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15625 | c0637199-c504-4425-83c4-83fd3f92fe8e | 1y2t | 2025-01-31 07:50:53 | 2025-01-31 10:09:17 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1y2t/5FFApaS7/2025-01-31_07-50-52/1y2t.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1y2t/5FFApaS7/2025-01-31_07-50-52/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 389.4}}
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-19972.6484 | 2025-01-31 09:03:49 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15624 | c75143f4-8d21-4f7e-94bf-e65295e05260 | 1ccr | 2025-01-31 07:49:39 | 2025-01-31 09:52:43 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ccr/5GKH9FPP/2025-01-31_07-49-37/1ccr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ccr/5GKH9FPP/2025-01-31_07-49-37/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 314.99}}
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-5818.8179 | 2025-01-31 08:59:53 | 600 | 5 | 1500 | 1.000000 | 5 |
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