| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 15112 | 9c54ae74-bd9e-4978-8132-554a38fbd9a2 | 1d7j | 2025-01-30 16:43:41 | 2025-01-30 18:40:43 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d7j/5CzFiYvB/2025-01-30_16-43-40/1d7j.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d7j/5CzFiYvB/2025-01-30_16-43-40/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 202.53}}
|
-22575.3672 | 2025-01-30 17:33:48 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1d7j/5CzFiYvB/5F1boa8C/2025-01-30_18-40-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1d7j/5CzFiYvB/5H4BcoLo/2025-01-30_18-40-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1d7j/5CzFiYvB/5DhNncUE/2025-01-30_18-40-50/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1d7j/5CzFiYvB/5HbmGqZk/2025-01-30_18-40-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1d7j/5CzFiYvB/5EsKitVx/2025-01-30_18-40-50/md_0_1.cpt']
|
| 15080 | d367bbac-2f3c-4827-b203-cb1689094734 | 6bwp | 2025-01-30 16:42:30 | 2025-01-30 19:34:24 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6bwp/5F4tQyWr/2025-01-30_16-42-29/6bwp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6bwp/5F4tQyWr/2025-01-30_16-42-29/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 281.77}}
|
-13012.2490 | 2025-01-30 19:08:35 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5G9iNxym/2025-01-30_19-34-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5FKYxVkM/2025-01-30_19-34-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5DJ6gt2p/2025-01-30_19-34-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5D4pv1fQ/2025-01-30_19-34-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5FZEixsS/2025-01-30_19-34-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5HYficC7/2025-01-30_19-34-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5HZ1iqya/2025-01-30_19-34-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5H5wXPTT/2025-01-30_19-34-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5HTGnSe5/2025-01-30_19-34-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6bwp/5F4tQyWr/5CX1t6qK/2025-01-30_19-34-32/md_0_1.cpt']
|
| 15111 | 5ffd5e74-3e66-4bf3-aaad-a153225249c1 | 1hdi | 2025-01-30 16:42:25 | 2025-01-30 20:56:39 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hdi/5HEo565W/2025-01-30_16-42-24/1hdi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hdi/5HEo565W/2025-01-30_16-42-24/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 254.62}}
|
0.0000 | 2025-01-30 18:00:02 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15110 | 64986607-e1ba-47d6-a18e-5d428ccd1cf0 | 2qil | 2025-01-30 16:41:40 | 2025-01-30 18:39:36 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qil/5CzFiYvB/2025-01-30_16-39-34/2qil.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qil/5CzFiYvB/2025-01-30_16-39-34/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 358.86}}
|
-15641.8730 | 2025-01-30 17:33:08 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2qil/5CzFiYvB/5HGuQx5w/2025-01-30_18-39-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2qil/5CzFiYvB/5CAz8emp/2025-01-30_18-39-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2qil/5CzFiYvB/5DU7YwrR/2025-01-30_18-40-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2qil/5CzFiYvB/5G4kqfwh/2025-01-30_18-40-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2qil/5CzFiYvB/5H3uS2zM/2025-01-30_18-40-04/md_0_1_old.cpt']
|
| 15109 | 01f0f519-a5e6-402a-a1ac-7de1ce4ebb41 | 4jae | 2025-01-30 16:39:23 | 2025-01-30 18:51:10 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jae/5HYk8DMK/2025-01-30_16-39-21/4jae.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jae/5HYk8DMK/2025-01-30_16-39-21/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 395.69}}
|
0.0000 | 2025-01-30 17:37:20 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5DS3joaF/2025-01-30_18-51-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5HYkJT1S/2025-01-30_18-51-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5GeqtuH4/2025-01-30_18-51-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5EEy7nWM/2025-01-30_18-51-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5Gx3DkGG/2025-01-30_18-51-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5Eq9hKu9/2025-01-30_18-51-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5HR74jwT/2025-01-30_18-51-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5HN4zGAv/2025-01-30_18-51-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5CRrGY7J/2025-01-30_18-51-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jae/5HYk8DMK/5H1PLX45/2025-01-30_18-51-26/md_0_1.cpt']
|
| 15108 | 958230e9-262c-4e79-a29f-eff84202e85f | 1czd | 2025-01-30 16:36:51 | 2025-01-30 18:35:07 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1czd/5CzFiYvB/2025-01-30_16-36-49/1czd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1czd/5CzFiYvB/2025-01-30_16-36-49/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 372.28}}
|
-8403.0186 | 2025-01-30 17:56:20 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czd/5CzFiYvB/5GR4rEwj/2025-01-30_18-35-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czd/5CzFiYvB/5EqEJuYc/2025-01-30_18-35-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czd/5CzFiYvB/5EWQ8WQh/2025-01-30_18-35-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czd/5CzFiYvB/5GTWqP6S/2025-01-30_18-35-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czd/5CzFiYvB/5G3onMPU/2025-01-30_18-35-15/md_0_1.cpt']
|
| 15107 | 4b987e09-8862-492c-9970-2b9071802492 | 1v61 | 2025-01-30 16:35:09 | 2025-01-30 20:13:30 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v61/5FFApaS7/2025-01-30_16-35-08/1v61.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v61/5FFApaS7/2025-01-30_16-35-08/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 276.11}}
|
-9187.1387 | 2025-01-30 19:29:43 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15105 | 4271a4a2-37a1-407a-87ef-3b9ccb3419d4 | 1wj3 | 2025-01-30 16:32:40 | 2025-01-30 18:47:34 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wj3/5HYk8DMK/2025-01-30_16-32-39/1wj3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wj3/5HYk8DMK/2025-01-30_16-32-39/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 308.68}}
|
-10460.4883 | 2025-01-30 17:50:21 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15103 | 7f04e6b3-5129-4212-81ea-37746b048c21 | 1nfg | 2025-01-30 16:30:31 | 2025-01-30 18:16:08 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nfg/5CzFiYvB/2025-01-30_16-29-03/1nfg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nfg/5CzFiYvB/2025-01-30_16-29-03/em.cpt'}
|
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 257.71}}
|
-292610.5938 | 2025-01-30 17:26:39 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nfg/5CzFiYvB/5Eq9hKu9/2025-01-30_18-16-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nfg/5CzFiYvB/5EjRpczo/2025-01-30_18-16-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nfg/5CzFiYvB/5GBxk4YT/2025-01-30_18-16-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nfg/5CzFiYvB/5Dka3Vh6/2025-01-30_18-16-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nfg/5CzFiYvB/5GxMgpTj/2025-01-30_18-16-31/md_0_1.cpt']
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| 15102 | 9b3c60c3-ee98-43bb-ad7f-f915d74d0b54 | 1jee | 2025-01-30 16:30:15 | 2025-01-30 19:53:06 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jee/5F2CsUDV/2025-01-30_16-30-13/1jee.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jee/5F2CsUDV/2025-01-30_16-30-13/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 272.14}}
|
-94086.3906 | 2025-01-30 18:23:12 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5FNEiDZG/2025-01-30_19-53-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5FLh1jsy/2025-01-30_19-53-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5FcDSsb4/2025-01-30_19-53-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5DP1wQun/2025-01-30_19-53-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5EEy7nWM/2025-01-30_19-53-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5HQV4JrB/2025-01-30_19-53-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5GjSmYTj/2025-01-30_19-53-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5CX1t6qK/2025-01-30_19-53-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5EcFV1Tp/2025-01-30_19-53-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1jee/5F2CsUDV/5GBxk4YT/2025-01-30_19-53-22/md_0_1.cpt']
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| 15101 | 64f1c473-1f32-4ca5-91e8-cb9030991e9e | 1ab2 | 2025-01-30 16:22:59 | 2025-01-30 19:44:13 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ab2/5F2CsUDV/2025-01-30_16-18-53/1ab2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ab2/5F2CsUDV/2025-01-30_16-18-53/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 257.38}}
|
-9279.3750 | 2025-01-30 18:17:01 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5GxgkVRW/2025-01-30_19-44-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5HR74jwT/2025-01-30_19-44-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5Gdn7dSR/2025-01-30_19-44-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5FZoGG7x/2025-01-30_19-44-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5EEwj36U/2025-01-30_19-44-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5D8JdLSr/2025-01-30_19-44-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5EsK8GE1/2025-01-30_19-44-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5Ca47zJP/2025-01-30_19-44-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5CcabLox/2025-01-30_19-44-24/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab2/5F2CsUDV/5DFuo6i7/2025-01-30_19-44-25/md_0_1.cpt']
|
| 15100 | 275024b5-cd97-43a9-917b-ac4399999e33 | 7rvx | 2025-01-30 16:18:33 | 2025-01-30 20:10:12 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rvx/5HEo565W/2025-01-30_16-18-33/7rvx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rvx/5HEo565W/2025-01-30_16-18-33/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 240.86}}
|
-54614.7188 | 2025-01-30 17:59:10 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15099 | 267cd481-7c92-45b8-92ad-7e764af58d69 | 1mb6 | 2025-01-30 16:16:46 | 2025-01-30 18:06:18 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mb6/5CzFiYvB/2025-01-30_16-16-45/1mb6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mb6/5CzFiYvB/2025-01-30_16-16-45/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 293.16}}
|
-2318.9231 | 2025-01-30 16:56:32 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15098 | f27bf783-dc3c-46d6-9649-c36f1645e021 | 1aj2 | 2025-01-30 16:13:24 | 2025-01-30 20:03:00 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aj2/5HEo565W/2025-01-30_16-13-24/1aj2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aj2/5HEo565W/2025-01-30_16-13-24/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 319.76}}
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-19403.9531 | 2025-01-30 17:53:42 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15097 | b18c8d22-b9ee-4617-a2a1-fd824a8a5905 | 6esp | 2025-01-30 16:10:51 | 2025-01-30 19:59:55 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6esp/5HEo565W/2025-01-30_16-10-50/6esp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6esp/5HEo565W/2025-01-30_16-10-50/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 256.89}}
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-11728.1035 | 2025-01-30 17:50:41 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15061 | 7751069a-5ef3-464c-b957-16ae0f8e1d3c | 1epn | 2025-01-30 16:06:33 | 2025-01-30 19:00:57 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1epn/5F4tQyWr/2025-01-30_16-06-32/1epn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1epn/5F4tQyWr/2025-01-30_16-06-32/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 265.73}}
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-10344.8115 | 2025-01-30 18:03:38 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15096 | d97f8ea3-738f-4e1f-8163-95332815f056 | 7a9q | 2025-01-30 16:04:35 | 2025-01-30 19:53:22 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7a9q/5HEo565W/2025-01-30_16-04-35/7a9q.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7a9q/5HEo565W/2025-01-30_16-04-35/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 359.14}}
|
-6128.4702 | 2025-01-30 17:44:15 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15095 | 1666d117-61ed-43c2-a595-889079531fcd | 2ku6 | 2025-01-30 16:01:55 | 2025-01-30 17:40:06 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ku6/5CzFiYvB/2025-01-30_16-01-54/2ku6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ku6/5CzFiYvB/2025-01-30_16-01-54/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 277.97}}
|
-10508.1533 | 2025-01-30 16:46:16 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15094 | be85803a-65e6-439f-b75f-26a047faf836 | 1axw | 2025-01-30 15:59:03 | 2025-01-30 19:52:29 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1axw/5HEo565W/2025-01-30_15-59-03/1axw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1axw/5HEo565W/2025-01-30_15-59-03/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 319.69}}
|
0.0000 | 2025-01-30 17:01:40 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15093 | 38017120-fadb-48c9-9f0e-e7a3325007fb | 7cix | 2025-01-30 15:57:25 | 2025-01-30 19:49:48 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7cix/5FFApaS7/2025-01-30_15-57-24/7cix.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7cix/5FFApaS7/2025-01-30_15-57-24/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 382.19}}
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-14995.5557 | 2025-01-30 18:11:25 | 600 | 5 | 1500 | 1.000000 | 5 |
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