| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 16716 | 9f557dc6-4719-4323-99f9-a4aebaef16d2 | 1xyw | 2025-02-01 19:28:14 | 2025-02-01 22:05:46 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xyw/5GKH9FPP/2025-02-01_19-28-12/1xyw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xyw/5GKH9FPP/2025-02-01_19-28-12/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 274.59}}
|
-11252.6943 | 2025-02-01 20:36:45 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5FRHk95S/2025-02-01_22-05-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5HN5q9Fa/2025-02-01_22-05-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5EsKXx7M/2025-02-01_22-05-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5GYVQABL/2025-02-01_22-05-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5EEvdk6d/2025-02-01_22-05-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5EqEJuYc/2025-02-01_22-05-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5FjT2qPt/2025-02-01_22-05-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5HdRGSwc/2025-02-01_22-05-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5CZtKjxZ/2025-02-01_22-05-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xyw/5GKH9FPP/5GxjqYXt/2025-02-01_22-05-57/md_0_1.cpt']
|
| 16715 | c1191b37-3308-411a-9139-104cb12b10b0 | 8fpd | 2025-02-01 19:26:27 | 2025-02-01 22:00:24 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fpd/5GKH9FPP/2025-02-01_19-26-25/8fpd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fpd/5GKH9FPP/2025-02-01_19-26-25/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 275.22}}
|
-13255.5557 | 2025-02-01 20:31:54 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5GrzLRi3/2025-02-01_22-00-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5DAAjjm6/2025-02-01_22-00-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5HZ1iqya/2025-02-01_22-00-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5Hh4RLJA/2025-02-01_22-00-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5H4BcoLo/2025-02-01_22-00-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5FHgDbX7/2025-02-01_22-00-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5HeMZXU8/2025-02-01_22-00-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5Gbc1Dzo/2025-02-01_22-00-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5GHdVT5q/2025-02-01_22-00-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fpd/5GKH9FPP/5DhhnQF1/2025-02-01_22-00-35/md_0_1.cpt']
|
| 16714 | fb7ffab1-ada6-4f74-94de-077d382946e8 | 1rim | 2025-02-01 19:22:32 | 2025-02-01 21:50:29 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rim/5HYk8DMK/2025-02-01_19-22-31/1rim.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rim/5HYk8DMK/2025-02-01_19-22-31/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 270.41}}
|
-4366.3032 | 2025-02-01 20:52:17 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5HWFxVD3/2025-02-01_21-50-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5DXvZ6kW/2025-02-01_21-50-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5CfkPeMz/2025-02-01_21-50-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5G9iNxym/2025-02-01_21-50-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5HotM239/2025-02-01_21-50-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5CHpNaFM/2025-02-01_21-50-43/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5EhomZa6/2025-02-01_21-50-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5CoEdgdk/2025-02-01_21-50-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5CMHnFiW/2025-02-01_21-50-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rim/5HYk8DMK/5DP1wQun/2025-02-01_21-50-47/md_0_1.cpt']
|
| 16713 | 66413510-816d-41cf-bee2-c15844fc29ea | 1v6d | 2025-02-01 19:21:39 | 2025-02-01 20:47:14 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v6d/5CzFiYvB/2025-02-01_19-21-37/1v6d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v6d/5CzFiYvB/2025-02-01_19-21-37/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 304.86}}
|
-14526.8486 | 2025-02-01 20:15:55 | 600 | 6 | 1500 | 1.000000 | 5 |
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|
| 16712 | 9fa9b14a-5df2-4810-bea6-7933ed34e8d9 | 6cah | 2025-02-01 19:21:30 | 2025-02-01 20:46:43 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6cah/5CzFiYvB/2025-02-01_19-21-28/6cah.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6cah/5CzFiYvB/2025-02-01_19-21-28/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 272.23}}
|
-13349.1426 | 2025-02-01 20:15:20 | 600 | 6 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6cah/5CzFiYvB/5DXiys3z/2025-02-01_20-46-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6cah/5CzFiYvB/5DdAr5Uw/2025-02-01_20-46-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6cah/5CzFiYvB/5DXXiX9i/2025-02-01_20-46-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6cah/5CzFiYvB/5H3NbTt2/2025-02-01_20-46-50/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6cah/5CzFiYvB/5EsK8GE1/2025-02-01_20-46-50/md_0_1.cpt']
|
| 16711 | d95d1d9a-995b-4a5d-875a-36af76cff803 | 1eid | 2025-02-01 19:20:52 | 2025-02-01 21:45:36 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eid/5HYk8DMK/2025-02-01_19-20-51/1eid.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eid/5HYk8DMK/2025-02-01_19-20-51/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 301.54}}
|
-10066.8525 | 2025-02-01 20:47:30 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5HZ1iqya/2025-02-01_21-45-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5GeHm4rw/2025-02-01_21-45-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5EaCbdDs/2025-02-01_21-45-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5C8aeZq1/2025-02-01_21-45-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5ExkyH3g/2025-02-01_21-45-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5ELBjjiT/2025-02-01_21-45-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5Fq4S7oK/2025-02-01_21-45-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5EbgU56i/2025-02-01_21-45-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5FNEiDZG/2025-02-01_21-45-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eid/5HYk8DMK/5FxpkNkq/2025-02-01_21-45-45/md_0_1_old.cpt']
|
| 16684 | e1b9d5e6-bc57-401f-8c4a-cce66698247d | 1vvd | 2025-02-01 19:13:14 | 2025-02-01 20:33:48 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vvd/5F4tQyWr/2025-02-01_19-13-13/1vvd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vvd/5F4tQyWr/2025-02-01_19-13-13/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 373.97}}
|
-5950.3320 | 2025-02-01 19:49:10 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16683 | bbf9304a-426d-4f35-a9e7-373ae5baa510 | 1azb | 2025-02-01 19:13:05 | 2025-02-01 20:49:24 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5F4tQyWr/2025-02-01_19-13-03/1azb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5F4tQyWr/2025-02-01_19-13-03/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 211.19}}
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-10617.9912 | 2025-02-01 20:15:40 | 600 | 6 | 1500 | 1.000000 | 5 |
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| 16682 | 328cb689-12de-4684-a48e-2cd40dd2d844 | 1piq | 2025-02-01 19:11:12 | 2025-02-01 20:27:09 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31 |
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 370.2}}
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-3650.8369 | 2025-02-01 19:45:20 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16708 | c4ff0b86-04e1-47df-882c-78c4b387ec4f | 1pam | 2025-02-01 19:08:42 | 2025-02-01 21:28:20 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pam/5F2CsUDV/2025-02-01_19-08-40/1pam.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pam/5F2CsUDV/2025-02-01_19-08-40/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 322.54}}
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-93548.2734 | 2025-02-01 20:37:57 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16707 | 7520977a-dd59-4d7f-8f2d-2902b14f5412 | 2l5x | 2025-02-01 19:07:56 | 2025-02-01 21:54:26 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l5x/5Cg5QgjM/2025-02-01_19-04-20/2l5x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l5x/5Cg5QgjM/2025-02-01_19-04-20/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 374.8}}
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-26704.4668 | 2025-02-01 21:04:54 | 600 | 7 | 1500 | 1.000000 | 5 |
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| 16704 | 6b358be3-bd1c-41c7-ab73-87be80b53c2c | 2q89 | 2025-02-01 18:53:19 | 2025-02-01 20:31:36 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2q89/5CzFiYvB/2025-02-01_18-53-18/2q89.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2q89/5CzFiYvB/2025-02-01_18-53-18/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 242.25}}
|
-16916.6602 | 2025-02-01 20:03:21 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16663 | 80579a66-fdcc-4270-bc72-50371ed850b2 | 4r5d | 2025-02-01 18:48:52 | 2025-02-01 20:11:21 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4r5d/5F4tQyWr/2025-02-01_18-48-50/4r5d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4r5d/5F4tQyWr/2025-02-01_18-48-50/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 251.96}}
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-42639.6875 | 2025-02-01 19:33:52 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16703 | 841b2d80-3c68-4d4a-b77c-45be4fd10453 | 6qy1 | 2025-02-01 18:48:15 | 2025-02-01 21:16:49 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6qy1/5HYk8DMK/2025-02-01_18-48-14/6qy1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6qy1/5HYk8DMK/2025-02-01_18-48-14/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 261.96}}
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-12773.9805 | 2025-02-01 20:14:12 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16702 | 27395c16-176f-464b-b4f1-9273e3deb5ba | 1l1k | 2025-02-01 18:45:32 | 2025-02-01 21:35:12 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l1k/5HEo565W/2025-02-01_18-45-31/1l1k.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l1k/5HEo565W/2025-02-01_18-45-31/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 260.15}}
|
-1788.6373 | 2025-02-01 20:19:30 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16701 | 8f3981d5-99f5-4f63-bfd3-4a4ba543cda2 | 2n92 | 2025-02-01 18:41:08 | 2025-02-01 21:24:06 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n92/5GKH9FPP/2025-02-01_18-41-06/2n92.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n92/5GKH9FPP/2025-02-01_18-41-06/em.cpt'}
|
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/opc.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 339.29}}
|
-3025.2537 | 2025-02-01 20:04:27 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16658 | 76595b85-8fef-44a7-8aec-942018cf8c4c | 3n6i | 2025-02-01 18:39:54 | 2025-02-01 20:09:30 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3n6i/5F4tQyWr/2025-02-01_18-39-53/3n6i.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3n6i/5F4tQyWr/2025-02-01_18-39-53/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 203.85}}
|
-27916.7930 | 2025-02-01 19:31:48 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 16700 | 63f1ce4c-57da-4282-ace0-01157241169b | 6pin | 2025-02-01 18:37:22 | 2025-02-01 21:34:04 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6pin/5HEo565W/2025-02-01_18-37-21/6pin.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6pin/5HEo565W/2025-02-01_18-37-21/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 258.57}}
|
-1578.7598 | 2025-02-01 20:18:42 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 16699 | 05de2ada-b019-42cd-ac8a-f6655de7e5ab | 1d04 | 2025-02-01 18:35:56 | 2025-02-01 20:25:32 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d04/5CzFiYvB/2025-02-01_18-35-54/1d04.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d04/5CzFiYvB/2025-02-01_18-35-54/em.cpt'}
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{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 308.56}}
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-20185.2207 | 2025-02-01 19:40:31 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 16698 | a43b7adf-cd7f-4ca6-b385-3c2aa9baf3af | 1v5l | 2025-02-01 18:33:04 | 2025-02-01 20:39:26 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5l/5Cg5QgjM/2025-02-01_18-33-02/1v5l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5l/5Cg5QgjM/2025-02-01_18-33-02/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 300.22}}
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-3057.0696 | 2025-02-01 19:46:17 | 600 | 5 | 1500 | 1.000000 | 5 |
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