| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 14992 | e0236957-6ad8-408e-962c-fc65673bbd68 | 7aeg | 2025-01-30 12:56:43 | 2025-01-30 15:17:34 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7aeg/5Cg5QgjM/2025-01-30_12-54-34/7aeg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7aeg/5Cg5QgjM/2025-01-30_12-54-34/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 359.48}}
|
-8494.7842 | 2025-01-30 14:12:42 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14991 | 94da4499-90e8-4f59-9793-a6c086d3b6bc | 3eth | 2025-01-30 12:51:34 | 2025-01-30 15:13:08 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3eth/5Cg5QgjM/2025-01-30_12-51-32/3eth.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3eth/5Cg5QgjM/2025-01-30_12-51-32/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 209.97}}
|
-48605.5586 | 2025-01-30 14:42:35 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14990 | 5ecd4da9-94c4-412b-8d04-3d839226e2fb | 3fw7 | 2025-01-30 12:50:47 | 2025-01-30 14:38:52 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fw7/5CzFiYvB/2025-01-30_12-50-46/3fw7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fw7/5CzFiYvB/2025-01-30_12-50-46/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 262.76}}
|
-39292.1719 | 2025-01-30 14:12:24 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3fw7/5CzFiYvB/5EbgzxZd/2025-01-30_14-38-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3fw7/5CzFiYvB/5CoEdgdk/2025-01-30_14-38-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3fw7/5CzFiYvB/5HdfzvTF/2025-01-30_14-38-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3fw7/5CzFiYvB/5G9vwUF5/2025-01-30_14-38-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3fw7/5CzFiYvB/5HbmGqZk/2025-01-30_14-38-59/md_0_1.cpt']
|
| 14956 | 3a952105-2964-4c6d-9766-ef5708f7d0a0 | 1vlb | 2025-01-30 12:49:33 | 2025-01-30 15:13:14 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vlb/5F4tQyWr/2025-01-30_12-49-32/1vlb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vlb/5F4tQyWr/2025-01-30_12-49-32/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 257.75}}
|
-60187.7422 | 2025-01-30 14:06:08 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14955 | 051936ac-db9b-4e83-91cd-66f446aa52bd | 1pm6 | 2025-01-30 12:46:03 | 2025-01-30 15:07:45 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pm6/5F4tQyWr/2025-01-30_12-46-02/1pm6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pm6/5F4tQyWr/2025-01-30_12-46-02/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 327.34}}
|
-7040.4829 | 2025-01-30 14:01:34 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14953 | c980ac3d-f1bf-4e08-b294-deb8d61e234a | 2xle | 2025-01-30 12:41:06 | 2025-01-30 15:07:11 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2xle/5F4tQyWr/2025-01-30_12-41-04/2xle.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2xle/5F4tQyWr/2025-01-30_12-41-04/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 299.96}}
|
-5135.8047 | 2025-01-30 14:01:00 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14987 | 3e5cd3ed-e824-4826-b5f1-98bed594c2ea | 2aw0 | 2025-01-30 12:37:30 | 2025-01-30 16:22:41 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2aw0/5F2CsUDV/2025-01-30_12-37-28/2aw0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2aw0/5F2CsUDV/2025-01-30_12-37-28/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 284.84}}
|
-2253.5134 | 2025-01-30 14:38:16 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5Fq4S7oK/2025-01-30_16-22-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5HTGnSe5/2025-01-30_16-22-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5GeqtuH4/2025-01-30_16-22-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5GNeDT2Z/2025-01-30_16-22-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5FRHk95S/2025-01-30_16-22-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5DXXiX9i/2025-01-30_16-22-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5HYkJT1S/2025-01-30_16-22-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5CX1t6qK/2025-01-30_16-23-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5GEhtD5B/2025-01-30_16-23-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2aw0/5F2CsUDV/5Eh1ZgyG/2025-01-30_16-23-00/md_0_1.cpt']
|
| 14986 | 83c4d2eb-4752-4f29-a792-f421fa251b25 | 3ot7 | 2025-01-30 12:37:12 | 2025-01-30 17:04:21 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ot7/5F2CsUDV/2025-01-30_12-36-38/3ot7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ot7/5F2CsUDV/2025-01-30_12-36-38/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 394.73}}
|
-22818.1582 | 2025-01-30 16:18:29 | 600 | 6 | 1500 | 1.000000 | 5 |
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|
| 14985 | 058dfcd5-8370-4088-bd3f-839670458647 | 7oc1 | 2025-01-30 12:34:31 | 2025-01-30 15:08:47 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oc1/5GKH9FPP/2025-01-30_12-34-29/7oc1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oc1/5GKH9FPP/2025-01-30_12-34-29/em.cpt'}
|
{'ff': 'amber14/protein.ff14SB.xml', 'box': 'dodecahedron', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 384.52}}
|
-59199.4375 | 2025-01-30 14:34:11 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5CHpNaFM/2025-01-30_15-08-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5HR74jwT/2025-01-30_15-08-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5DRY6eG3/2025-01-30_15-08-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5HpCxvH5/2025-01-30_15-08-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5G6mzcBY/2025-01-30_15-08-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5HYkJT1S/2025-01-30_15-08-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5Dyv2T3R/2025-01-30_15-09-00/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5HbgRnCL/2025-01-30_15-09-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5GTWqP6S/2025-01-30_15-09-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7oc1/5GKH9FPP/5EyWAbu3/2025-01-30_15-09-01/md_0_1.cpt']
|
| 14984 | b1f3d729-a643-43a1-a56a-20abaed72c02 | 1yuh | 2025-01-30 12:33:45 | 2025-01-30 14:45:30 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yuh/5FFApaS7/2025-01-30_12-33-44/1yuh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yuh/5FFApaS7/2025-01-30_12-33-44/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 254.44}}
|
-55222.8516 | 2025-01-30 13:24:21 | 600 | 5 | 1500 | 1.000000 | 5 |
['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5HonwvyF/2025-01-30_14-45-36/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5EsKitVx/2025-01-30_14-45-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5Gxq2tRq/2025-01-30_14-45-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5GYVQABL/2025-01-30_14-45-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5EsK8GE1/2025-01-30_14-45-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5Dka3Vh6/2025-01-30_14-45-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5ESEfcCx/2025-01-30_14-45-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5DXvZ6kW/2025-01-30_14-45-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yuh/5FFApaS7/5HN5q9Fa/2025-01-30_14-45-53/md_0_1.cpt']
|
| 14983 | e8ede15b-8bcd-488b-ac1b-5e8353bb4465 | 2km9 | 2025-01-30 12:31:01 | 2025-01-30 14:40:17 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2km9/5FFApaS7/2025-01-30_12-30-59/2km9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2km9/5FFApaS7/2025-01-30_12-30-59/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 282.05}}
|
-534.7017 | 2025-01-30 13:37:02 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14982 | ea8f5e83-27ee-41ea-bb37-9dd28b836809 | 3v12 | 2025-01-30 12:28:43 | 2025-01-30 16:36:40 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v12/5HEo565W/2025-01-30_12-28-43/3v12.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v12/5HEo565W/2025-01-30_12-28-43/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 263.63}}
|
-12649.3984 | 2025-01-30 14:30:47 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14981 | 98d4e706-67ac-43e3-b778-5a9ee510885f | 2jte | 2025-01-30 12:28:30 | 2025-01-30 14:32:03 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jte/5Cg5QgjM/2025-01-30_12-28-29/2jte.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jte/5Cg5QgjM/2025-01-30_12-28-29/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 290.03}}
|
-2429.0054 | 2025-01-30 13:21:13 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14980 | 0af12ace-08e8-4fd6-8307-4653c7c71fee | 2lkl | 2025-01-30 12:28:30 | 2025-01-30 16:10:27 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkl/5HEo565W/2025-01-30_12-28-29/2lkl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkl/5HEo565W/2025-01-30_12-28-29/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 237.4}}
|
-8637.3555 | 2025-01-30 13:46:56 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 14979 | f489cd8d-0378-4140-9f01-5f826d5e4a03 | 7tnc | 2025-01-30 12:28:12 | 2025-01-30 16:04:22 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7tnc/5HEo565W/2025-01-30_12-28-12/7tnc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7tnc/5HEo565W/2025-01-30_12-28-12/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 276.09}}
|
-3999.3914 | 2025-01-30 13:41:00 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5DXvZ6kW/2025-01-30_16-04-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5FF48AEJ/2025-01-30_16-04-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5EZJCvUK/2025-01-30_16-04-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5CaUeYYY/2025-01-30_16-04-29/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5GxgkVRW/2025-01-30_16-04-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5GrmnoWJ/2025-01-30_16-04-30/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5EnT7oy4/2025-01-30_16-04-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5HYkJT1S/2025-01-30_16-04-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5HbgRnCL/2025-01-30_16-04-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tnc/5HEo565W/5Grg3vXe/2025-01-30_16-04-30/md_0_1_old.cpt']
|
| 14978 | b26278c9-e47d-4d02-ab37-2114f70bfb72 | 2m83 | 2025-01-30 12:27:53 | 2025-01-30 15:58:57 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m83/5HEo565W/2025-01-30_12-27-52/2m83.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m83/5HEo565W/2025-01-30_12-27-52/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 351.8}}
|
-9589.7334 | 2025-01-30 13:35:39 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5DkvT79z/2025-01-30_15-59-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5CkzwPiq/2025-01-30_15-59-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5EUX8Kuc/2025-01-30_15-59-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5ELgovom/2025-01-30_15-59-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5ESAZwTf/2025-01-30_15-59-03/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5Gurm68i/2025-01-30_15-59-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5Eo36DdG/2025-01-30_15-59-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5EsKXx7M/2025-01-30_15-59-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5Fq4S7oK/2025-01-30_15-59-03/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m83/5HEo565W/5HNjFXXT/2025-01-30_15-59-03/md_0_1.cpt']
|
| 14977 | c0133e17-6b59-4401-9487-38f65fc6104d | 1yjt | 2025-01-30 12:27:42 | 2025-01-30 15:56:42 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yjt/5HEo565W/2025-01-30_12-27-42/1yjt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yjt/5HEo565W/2025-01-30_12-27-42/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 276.99}}
|
-5275.5371 | 2025-01-30 13:34:18 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 14976 | 4a06c665-cf77-4aac-a222-de5bb2fc2040 | 2m2x | 2025-01-30 12:27:30 | 2025-01-30 16:04:04 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m2x/5F2CsUDV/2025-01-30_12-27-27/2m2x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m2x/5F2CsUDV/2025-01-30_12-27-27/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 371.1}}
|
-3113.3462 | 2025-01-30 14:25:08 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 14948 | e33d96a1-45a6-4574-9a3b-837147382aec | 2ma1 | 2025-01-30 12:27:16 | 2025-01-30 14:48:07 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ma1/5F4tQyWr/2025-01-30_12-27-15/2ma1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ma1/5F4tQyWr/2025-01-30_12-27-15/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 271.28}}
|
-6238.3423 | 2025-01-30 13:27:48 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 14975 | 6d13e23c-a4c1-4338-9e2e-62c268cd4184 | 1k3t | 2025-01-30 12:26:13 | 2025-01-30 14:11:02 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k3t/5CzFiYvB/2025-01-30_12-26-12/1k3t.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k3t/5CzFiYvB/2025-01-30_12-26-12/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 359.99}}
|
0.0000 | 2025-01-30 12:45:45 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k3t/5CzFiYvB/5DUmNo3Q/2025-01-30_14-11-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k3t/5CzFiYvB/5HYkJT1S/2025-01-30_14-11-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k3t/5CzFiYvB/5EEvdk6d/2025-01-30_14-11-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k3t/5CzFiYvB/5E4Eu5KB/2025-01-30_14-11-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k3t/5CzFiYvB/5H1PLX45/2025-01-30_14-11-11/md_0_1_old.cpt']
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