| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 15019 | 25bb3b97-5c96-4241-bbef-c42d0b7f6e61 | 2liv | 2025-01-30 14:47:33 | 2025-01-30 16:41:04 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2liv/5F4tQyWr/2025-01-30_14-47-32/2liv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2liv/5F4tQyWr/2025-01-30_14-47-32/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 324.11}}
|
-22571.2852 | 2025-01-30 15:29:36 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15052 | 18495bf6-b85f-4b24-8a76-9a820f2a3efd | 1lqq | 2025-01-30 14:45:55 | 2025-01-30 19:03:04 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1lqq/5FFApaS7/2025-01-30_14-45-52/1lqq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1lqq/5FFApaS7/2025-01-30_14-45-52/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 218.96}}
|
-3709.0781 | 2025-01-30 17:07:29 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15050 | e8734c3f-c164-424f-afac-85702fea0ec5 | 4a6b | 2025-01-30 14:42:52 | 2025-01-30 16:44:29 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6b/5Cg5QgjM/2025-01-30_14-42-50/4a6b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6b/5Cg5QgjM/2025-01-30_14-42-50/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 344.09}}
|
-5549.2383 | 2025-01-30 15:51:22 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15049 | 0f14a21b-867e-4884-a2ab-7c1dcc6d4c9a | 2cl2 | 2025-01-30 14:41:28 | 2025-01-30 15:58:09 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cl2/5CzFiYvB/2025-01-30_14-41-26/2cl2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cl2/5CzFiYvB/2025-01-30_14-41-26/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 328.0}}
|
-1100.7195 | 2025-01-30 15:22:43 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cl2/5CzFiYvB/5CouGodv/2025-01-30_15-58-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cl2/5CzFiYvB/5CZtKjxZ/2025-01-30_15-58-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cl2/5CzFiYvB/5CoEdgdk/2025-01-30_15-58-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cl2/5CzFiYvB/5EyWujpT/2025-01-30_15-58-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cl2/5CzFiYvB/5G9vwUF5/2025-01-30_15-58-17/md_0_1.cpt']
|
| 15047 | 1a882970-7032-4330-b273-e2a5ee06f865 | 5xmv | 2025-01-30 14:39:47 | 2025-01-30 17:20:50 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5xmv/5HYk8DMK/2025-01-30_14-39-45/5xmv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5xmv/5HYk8DMK/2025-01-30_14-39-45/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 291.86}}
|
-73441.8750 | 2025-01-30 16:19:21 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15046 | c74b62f2-679a-4842-8c86-d0d143c04c39 | 4aux | 2025-01-30 14:28:45 | 2025-01-30 17:10:37 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4aux/5HYk8DMK/2025-01-30_14-28-44/4aux.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4aux/5HYk8DMK/2025-01-30_14-28-44/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 225.41}}
|
-25089.5312 | 2025-01-30 15:38:04 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15045 | f9b9e734-b46e-454b-88fb-0eadee6dab44 | 7p4n | 2025-01-30 14:26:37 | 2025-01-30 17:09:23 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7p4n/5HYk8DMK/2025-01-30_14-26-35/7p4n.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7p4n/5HYk8DMK/2025-01-30_14-26-35/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 207.29}}
|
-7061.7026 | 2025-01-30 15:36:53 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15043 | f7b62a50-f662-4f19-8102-c67f48e3800b | 2pvd | 2025-01-30 14:20:58 | 2025-01-30 17:05:22 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pvd/5GKH9FPP/2025-01-30_14-20-56/2pvd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pvd/5GKH9FPP/2025-01-30_14-20-56/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 302.42}}
|
-12112.9551 | 2025-01-30 15:38:29 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15042 | e8d77759-1c0a-4c06-9c3c-32c18dca5c6f | 6d8y | 2025-01-30 14:20:06 | 2025-01-30 17:00:31 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d8y/5GKH9FPP/2025-01-30_14-20-04/6d8y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d8y/5GKH9FPP/2025-01-30_14-20-04/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 382.6}}
|
-2749.7131 | 2025-01-30 15:34:04 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15041 | f1232fe1-ab7b-4260-b0da-5831b41a5d99 | 8fdg | 2025-01-30 14:19:33 | 2025-01-30 15:32:12 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fdg/5CzFiYvB/2025-01-30_14-19-32/8fdg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fdg/5CzFiYvB/2025-01-30_14-19-32/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 370.86}}
|
-51040.8984 | 2025-01-30 14:53:05 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15010 | 7e307feb-59f2-41ab-a366-52ed8b3f9b8e | 2z57 | 2025-01-30 14:17:02 | 2025-01-30 16:04:10 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2z57/5F4tQyWr/2025-01-30_14-17-01/2z57.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2z57/5F4tQyWr/2025-01-30_14-17-01/em.cpt'}
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{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 361.58}}
|
-35659.0820 | 2025-01-30 15:19:07 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15037 | 7fc91cb0-e85c-4f44-8d5b-dafe75949614 | 6d8h | 2025-01-30 14:11:26 | 2025-01-30 17:52:01 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d8h/5F2CsUDV/2025-01-30_14-11-24/6d8h.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d8h/5F2CsUDV/2025-01-30_14-11-24/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 382.12}}
|
-3181.0676 | 2025-01-30 15:56:24 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15036 | 46076898-1361-4e4f-b47a-1f51b3ad97fe | 2lzu | 2025-01-30 14:11:13 | 2025-01-30 15:27:26 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzu/5CzFiYvB/2025-01-30_14-11-11/2lzu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzu/5CzFiYvB/2025-01-30_14-11-11/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 310.92}}
|
-2574.9314 | 2025-01-30 14:48:20 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15035 | 7889e78a-dac5-4145-8798-5ab8d7175325 | 1ud7 | 2025-01-30 14:10:57 | 2025-01-30 18:19:41 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ud7/5FFApaS7/2025-01-30_14-10-57/1ud7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ud7/5FFApaS7/2025-01-30_14-10-57/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 251.51}}
|
-7429.3779 | 2025-01-30 16:27:18 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5GeHm4rw/2025-01-30_18-19-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5HTGnSe5/2025-01-30_18-19-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5EbgzxZd/2025-01-30_18-19-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5HYVRNRE/2025-01-30_18-19-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5CkzwPiq/2025-01-30_18-19-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5HmPbPUa/2025-01-30_18-19-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5ESAZwTf/2025-01-30_18-19-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5EWQ8WQh/2025-01-30_18-19-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5DvtSoBC/2025-01-30_18-19-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ud7/5FFApaS7/5E7u7wM5/2025-01-30_18-19-49/md_0_1.cpt']
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| 15034 | 79db0f06-b0f0-4044-97f4-9a4ff0163318 | 6peg | 2025-01-30 14:06:39 | 2025-01-30 17:50:58 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6peg/5F2CsUDV/2025-01-30_14-06-36/6peg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6peg/5F2CsUDV/2025-01-30_14-06-36/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 246.82}}
|
-13876.1650 | 2025-01-30 15:55:42 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15033 | a72d775c-7f80-42bb-a8b1-70f577f264c1 | 3id3 | 2025-01-30 14:01:40 | 2025-01-30 16:32:29 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3id3/5HYk8DMK/2025-01-30_14-01-38/3id3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3id3/5HYk8DMK/2025-01-30_14-01-38/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 348.76}}
|
-12860.7334 | 2025-01-30 15:03:23 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5C5mW9ze/2025-01-30_16-32-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5Gdn7dSR/2025-01-30_16-32-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5CMEJjrh/2025-01-30_16-32-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5C4xDki7/2025-01-30_16-32-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5FF48AEJ/2025-01-30_16-32-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5Gx3DkGG/2025-01-30_16-32-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5DaVVLYY/2025-01-30_16-32-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5HYCRBVh/2025-01-30_16-32-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5ES6G8x2/2025-01-30_16-32-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3id3/5HYk8DMK/5Fuos1nD/2025-01-30_16-32-41/md_0_1_old.cpt']
|
| 15032 | 03a603ce-d653-4f75-b504-ef8625b1c230 | 2igc | 2025-01-30 14:00:23 | 2025-01-30 17:46:28 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2igc/5F2CsUDV/2025-01-30_14-00-20/2igc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2igc/5F2CsUDV/2025-01-30_14-00-20/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 211.34}}
|
-17346.4453 | 2025-01-30 15:49:53 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15031 | 59e1fbca-7834-427f-b8aa-a6e33db200ee | 1gkj | 2025-01-30 14:00:11 | 2025-01-30 16:30:48 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gkj/5HYk8DMK/2025-01-30_14-00-10/1gkj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gkj/5HYk8DMK/2025-01-30_14-00-10/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 392.81}}
|
-17302.3711 | 2025-01-30 15:01:57 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15029 | 7b4bbcfa-25c8-4d0b-8803-ff5e4ecaa517 | 7u10 | 2025-01-30 13:55:30 | 2025-01-30 16:56:13 | 1 | No | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7u10/5GKH9FPP/2025-01-30_13-55-28/7u10.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7u10/5GKH9FPP/2025-01-30_13-55-28/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 216.27}}
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-39949.3672 | 2025-01-30 15:30:29 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15028 | 7c04b8ac-37a1-49c7-9668-1a30a2c5fd54 | 5m8o | 2025-01-30 13:55:21 | 2025-01-30 17:46:39 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5m8o/5FFApaS7/2025-01-30_13-55-19/5m8o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5m8o/5FFApaS7/2025-01-30_13-55-19/em.cpt'}
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{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/opc3.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 225.89}}
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-340234.7812 | 2025-01-30 15:25:29 | 600 | 5 | 1500 | 1.000000 | 5 |
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