| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 15119 | f68ff90c-f951-4a30-83b6-dc44a6028f82 | 1meg | 2025-01-30 17:58:49 | 2025-01-30 20:00:32 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1meg/5F4tQyWr/2025-01-30_17-58-48/1meg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1meg/5F4tQyWr/2025-01-30_17-58-48/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 219.25}}
|
-10351.0410 | 2025-01-30 18:57:26 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15148 | 03ffb042-18cd-40fb-8fc7-80ca3cc95277 | 1e4t | 2025-01-30 17:54:16 | 2025-01-30 20:40:46 | 1 | No | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1e4t/5FFApaS7/2025-01-30_17-54-14/1e4t.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1e4t/5FFApaS7/2025-01-30_17-54-14/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 209.35}}
|
-3016.7888 | 2025-01-30 19:39:29 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15147 | c76372fd-de8c-4cba-bb46-366ce7d149cd | 2epw | 2025-01-30 17:52:46 | 2025-01-30 20:34:28 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2epw/5F2CsUDV/2025-01-30_17-52-44/2epw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2epw/5F2CsUDV/2025-01-30_17-52-44/em.cpt'}
|
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 399.45}}
|
-4249.3115 | 2025-01-30 19:34:19 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15146 | 21f24c1e-732d-4f4a-8695-74b425ac2adc | 6o5a | 2025-01-30 17:51:36 | 2025-01-30 19:17:31 | 1 | No | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6o5a/5CzFiYvB/2025-01-30_17-51-34/6o5a.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6o5a/5CzFiYvB/2025-01-30_17-51-34/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 374.99}}
|
-14272.9189 | 2025-01-30 18:45:00 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15145 | fbf28fee-0e45-4cc0-9b9a-b0d47f708d34 | 2jy8 | 2025-01-30 17:51:31 | 2025-01-30 20:32:56 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jy8/5F2CsUDV/2025-01-30_17-51-28/2jy8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jy8/5F2CsUDV/2025-01-30_17-51-28/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 290.69}}
|
-4172.0625 | 2025-01-30 19:33:01 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15144 | d60f3930-bb9d-4ebf-a4a3-eec2d7bd2ff3 | 1klc | 2025-01-30 17:46:46 | 2025-01-30 20:31:58 | 1 | No | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1klc/5F2CsUDV/2025-01-30_17-46-43/1klc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1klc/5F2CsUDV/2025-01-30_17-46-43/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 328.12}}
|
-12350.0283 | 2025-01-30 19:32:06 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15142 | 06c78bba-a258-44e4-b752-fa2ed8fb1205 | 1ht0 | 2025-01-30 17:40:33 | 2025-01-30 20:06:04 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ht0/5Cg5QgjM/2025-01-30_17-40-31/1ht0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ht0/5Cg5QgjM/2025-01-30_17-40-31/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 256.56}}
|
-47323.7969 | 2025-01-30 19:24:38 | 600 | 7 | 1500 | 1.000000 | 5 |
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|
| 15140 | 799bc705-0da3-4fc2-98d9-6b6298889b7c | 4bu4 | 2025-01-30 17:38:57 | 2025-01-30 19:19:57 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4bu4/5Cg5QgjM/2025-01-30_17-38-55/4bu4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4bu4/5Cg5QgjM/2025-01-30_17-38-55/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 238.07}}
|
-4435.9453 | 2025-01-30 18:19:06 | 600 | 5 | 1500 | 1.000000 | 5 |
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|
| 15139 | 068d829b-baa3-4b2a-8cc2-4fa989d5f884 | 5lo2 | 2025-01-30 17:35:47 | 2025-01-30 19:19:25 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lo2/5Cg5QgjM/2025-01-30_17-35-45/5lo2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lo2/5Cg5QgjM/2025-01-30_17-35-45/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 272.66}}
|
-2320.5703 | 2025-01-30 18:18:03 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5EqEJuYc/2025-01-30_19-19-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5CoEdgdk/2025-01-30_19-19-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5G27Crdi/2025-01-30_19-19-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5DXvZ6kW/2025-01-30_19-19-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5Gx3DkGG/2025-01-30_19-19-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5EycN1NE/2025-01-30_19-19-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5GR4rEwj/2025-01-30_19-19-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5CarftSX/2025-01-30_19-19-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5EyWujpT/2025-01-30_19-19-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5ExkyH3g/2025-01-30_19-19-29/md_0_1.cpt']
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| 15138 | ee0c993d-f6f0-47bb-bac4-0cb9e757f167 | 4zv7 | 2025-01-30 17:35:42 | 2025-01-30 19:18:54 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4zv7/5Cg5QgjM/2025-01-30_17-35-40/4zv7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4zv7/5Cg5QgjM/2025-01-30_17-35-40/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 333.96}}
|
-17103.1680 | 2025-01-30 18:17:06 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5C595wt7/2025-01-30_19-18-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5DFWAKb5/2025-01-30_19-18-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5FZoGG7x/2025-01-30_19-18-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5H4BcoLo/2025-01-30_19-18-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5Ec4Vqsh/2025-01-30_19-18-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5Fuos1nD/2025-01-30_19-18-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5EsKXx7M/2025-01-30_19-18-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5CY9apyj/2025-01-30_19-18-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5HN4zGAv/2025-01-30_19-18-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5Eo36DdG/2025-01-30_19-18-58/md_0_1.cpt']
|
| 15137 | ac5040b6-5655-475e-b0a3-6ff3a8805853 | 2mh3 | 2025-01-30 17:35:29 | 2025-01-30 21:39:04 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mh3/5HEo565W/2025-01-30_17-35-28/2mh3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mh3/5HEo565W/2025-01-30_17-35-28/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 318.49}}
|
-10211.6465 | 2025-01-30 19:44:14 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5Dc8cxYU/2025-01-30_21-39-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5EqEJuYc/2025-01-30_21-39-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5H1PLX45/2025-01-30_21-39-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5GrzLRi3/2025-01-30_21-39-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5Fuos1nD/2025-01-30_21-39-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5CcabLox/2025-01-30_21-39-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5CMEJjrh/2025-01-30_21-39-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5GsSM359/2025-01-30_21-39-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5ESEfcCx/2025-01-30_21-39-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mh3/5HEo565W/5CiGhHrn/2025-01-30_21-39-18/md_0_1.cpt']
|
| 15106 | 44e3e818-9368-4f72-9b1c-98914c7be161 | 2ba3 | 2025-01-30 17:33:15 | 2025-01-30 19:58:51 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ba3/5F4tQyWr/2025-01-30_17-33-13/2ba3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ba3/5F4tQyWr/2025-01-30_17-33-13/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 365.14}}
|
-11919.3496 | 2025-01-30 18:56:41 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15104 | b0792aa2-e649-4bc5-b344-de34f44d2cc3 | 1f90 | 2025-01-30 17:31:13 | 2025-01-30 19:58:02 | 1 | No | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f90/5F4tQyWr/2025-01-30_17-31-12/1f90.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f90/5F4tQyWr/2025-01-30_17-31-12/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 273.98}}
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-36796.3867 | 2025-01-30 18:55:30 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15136 | e9ee0769-4b7c-488d-be30-3d0c650a142e | 5y0h | 2025-01-30 17:29:55 | 2025-01-30 21:31:55 | 1 | No | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5y0h/5HEo565W/2025-01-30_17-29-54/5y0h.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5y0h/5HEo565W/2025-01-30_17-29-54/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 367.79}}
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-2038.0133 | 2025-01-30 19:37:13 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15135 | 2db62160-e6e7-4e75-85de-0fa677059aee | 1iti | 2025-01-30 17:27:02 | 2025-01-30 19:22:59 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iti/5HYk8DMK/2025-01-30_17-27-01/1iti.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iti/5HYk8DMK/2025-01-30_17-27-01/em.cpt'}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 250.33}}
|
-14305.8008 | 2025-01-30 18:24:18 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5HU3t5Nc/2025-01-30_19-23-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5GehSP5B/2025-01-30_19-23-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5EsKitVx/2025-01-30_19-23-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5D8JdLSr/2025-01-30_19-23-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5F6bUfiS/2025-01-30_19-23-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5GsSM359/2025-01-30_19-23-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5FPK4CeE/2025-01-30_19-23-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5FjT2qPt/2025-01-30_19-23-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5Gxq2tRq/2025-01-30_19-23-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iti/5HYk8DMK/5CtCgQia/2025-01-30_19-23-16/md_0_1_old.cpt']
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| 15134 | f307c45a-37be-4e2f-a515-5cde0bb43559 | 3dhm | 2025-01-30 17:23:37 | 2025-01-30 18:58:36 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dhm/5Cg5QgjM/2025-01-30_17-23-35/3dhm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dhm/5Cg5QgjM/2025-01-30_17-23-35/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 278.34}}
|
-9874.0127 | 2025-01-30 17:56:53 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5Cd59oQs/2025-01-30_18-58-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5CSqSvkr/2025-01-30_18-58-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5EUX8Kuc/2025-01-30_18-58-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5EhxUCpu/2025-01-30_18-58-38/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5Gxq2tRq/2025-01-30_18-58-38/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5Gseg5jc/2025-01-30_18-58-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5F4Vi7rw/2025-01-30_18-58-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5D4kFUfn/2025-01-30_18-58-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5D9nYrVf/2025-01-30_18-58-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dhm/5Cg5QgjM/5HonwvyF/2025-01-30_18-58-40/md_0_1_old.cpt']
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| 15133 | 7ec4d31f-1199-463a-b1d6-c7c87511b9fd | 1fdh | 2025-01-30 17:23:17 | 2025-01-30 19:41:56 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fdh/5Cg5QgjM/2025-01-30_17-23-15/1fdh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fdh/5Cg5QgjM/2025-01-30_17-23-15/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 399.91}}
|
-25718.1133 | 2025-01-30 18:58:00 | 600 | 7 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5HdfzvTF/2025-01-30_19-41-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5CMHnFiW/2025-01-30_19-42-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5Grg3vXe/2025-01-30_19-42-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5E2VPvK2/2025-01-30_19-42-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5CV8vqhD/2025-01-30_19-42-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5HYficC7/2025-01-30_19-42-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5GeHm4rw/2025-01-30_19-42-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5Hh4RLJA/2025-01-30_19-42-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5DdAr5Uw/2025-01-30_19-42-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fdh/5Cg5QgjM/5D4pv1fQ/2025-01-30_19-42-08/md_0_1.cpt']
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| 15132 | 522398de-dab5-4d8f-9acf-a099d9371d71 | 1jrf | 2025-01-30 17:22:04 | 2025-01-30 18:55:06 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jrf/5Cg5QgjM/2025-01-30_17-22-02/1jrf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jrf/5Cg5QgjM/2025-01-30_17-22-02/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 366.4}}
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-3478.8750 | 2025-01-30 17:53:57 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15131 | 8663f6aa-f9e1-4f18-b292-e0f863959e93 | 2aw0 | 2025-01-30 17:21:13 | 2025-01-30 19:16:43 | 1 | No | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9 |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2aw0/5HYk8DMK/2025-01-30_17-21-11/2aw0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2aw0/5HYk8DMK/2025-01-30_17-21-11/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 356.97}}
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-4204.6450 | 2025-01-30 18:19:15 | 600 | 5 | 1500 | 1.000000 | 5 |
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| 15130 | 81d631a8-11d3-4b53-9d63-2ca2d057b493 | 1uc0 | 2025-01-30 17:20:48 | 2025-01-30 18:54:06 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p |
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uc0/5Cg5QgjM/2025-01-30_17-20-46/1uc0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uc0/5Cg5QgjM/2025-01-30_17-20-46/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 371.83}}
|
-11454.0723 | 2025-01-30 17:52:59 | 600 | 5 | 1500 | 1.000000 | 5 |
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