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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
336 | 466be1b8-667c-4957-8c73-29489dc743d4 | 6gsb | 2025-01-10 11:30:24 | 2025-01-10 13:20:40 | 1 | Yes | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gsb/5HYk8DMK/2025-01-10_11-30-23/6gsb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gsb/5HYk8DMK/2025-01-10_11-30-23/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 271.16}}
|
-32420.0547 | 2025-01-10 12:43:38 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
311 | 3b48ace7-5e95-48da-9661-6502c5374c71 | 7n87 | 2025-01-10 11:29:54 | 2025-01-10 13:12:40 | 1 | Yes | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n87/5F4tQyWr/2025-01-10_11-29-53/7n87.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n87/5F4tQyWr/2025-01-10_11-29-53/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 371.73}}
|
-7176.1880 | 2025-01-10 12:19:14 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
335 | c65a6b4b-72ee-4a84-a578-736cbddae903 | 2m8r | 2025-01-10 11:29:06 | 2025-01-10 13:52:05 | 1 | Yes | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m8r/5HEo565W/2025-01-10_11-29-05/2m8r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m8r/5HEo565W/2025-01-10_11-29-05/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 374.54}}
|
-8689.7549 | 2025-01-10 12:41:28 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
334 | 9f956dcc-178f-46b6-ada1-ab3eb5d32183 | 2kkq | 2025-01-10 11:28:57 | 2025-01-10 13:51:27 | 1 | Yes | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kkq/5HEo565W/2025-01-10_11-28-57/2kkq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kkq/5HEo565W/2025-01-10_11-28-57/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 219.33}}
|
-5874.6978 | 2025-01-10 12:40:50 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
333 | 81c527cd-1fea-4365-965a-d897ac658f24 | 7f68 | 2025-01-10 11:27:33 | 2025-01-10 13:50:44 | 1 | Yes | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7f68/5HEo565W/2025-01-10_11-27-32/7f68.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7f68/5HEo565W/2025-01-10_11-27-32/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 335.83}}
|
-14712.7812 | 2025-01-10 12:40:08 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
332 | 0ebefb51-0687-4c49-9d59-cd9b22112191 | 4a6c | 2025-01-10 11:24:11 | 2025-01-10 13:48:20 | 1 | Yes | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6c/5HEo565W/2025-01-10_11-24-10/4a6c.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6c/5HEo565W/2025-01-10_11-24-10/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 242.7}}
|
-8552.0332 | 2025-01-10 12:37:27 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
331 | e688a517-d39e-4350-aebe-a0d79e660563 | 1gae | 2025-01-10 11:18:59 | 2025-01-10 13:04:34 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gae/5Cg5QgjM/2025-01-10_11-18-57/1gae.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gae/5Cg5QgjM/2025-01-10_11-18-57/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 338.42}}
|
-50701.3945 | 2025-01-10 12:34:40 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5GpYkazm/2025-01-10_13-04-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5DjsaHfv/2025-01-10_13-04-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5G9K3aZm/2025-01-10_13-04-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5DJ6gt2p/2025-01-10_13-04-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5C4xDki7/2025-01-10_13-04-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5G9u1Nxk/2025-01-10_13-04-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5H6J7uS1/2025-01-10_13-04-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5Gdn7dSR/2025-01-10_13-04-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5CZtKjxZ/2025-01-10_13-04-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5DAAjjm6/2025-01-10_13-04-48/md_0_1.cpt']
|
330 | c76954bf-b714-48ad-a544-f61acceb7ff0 | 7y4b | 2025-01-10 11:14:38 | 2025-01-10 12:54:20 | 1 | Yes | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227 |
['5EXPZjSu18ifZ9amKYs4Ver9iMb8GAy8SnbgauNKBrRB9UY2', '5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB', '5HTd9ESD5MU4fdSmfzPK7YQF1ufcF4ni3Y38YcksCukFMWHt', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7y4b/5F2CsUDV/2025-01-10_11-14-36/7y4b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7y4b/5F2CsUDV/2025-01-10_11-14-36/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 219.08}}
|
-20691.9805 | 2025-01-10 11:57:23 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
329 | 957334ec-b045-410b-9919-930d44d8e5f1 | 1j9i | 2025-01-10 11:14:33 | 2025-01-10 12:31:46 | 1 | Yes | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j9i/5FFApaS7/2025-01-10_11-14-32/1j9i.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j9i/5FFApaS7/2025-01-10_11-14-32/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 391.81}}
|
-14044.4580 | 2025-01-10 11:50:32 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
328 | 352de15c-6094-47ca-b12f-37d77cceb218 | 5co9 | 2025-01-10 11:07:13 | 2025-01-10 12:30:12 | 1 | Yes | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5co9/5FFApaS7/2025-01-10_11-07-12/5co9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5co9/5FFApaS7/2025-01-10_11-07-12/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 316.3}}
|
-2360.7700 | 2025-01-10 11:48:47 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
327 | 1c0f677b-46d6-4b67-b370-1cc45e3b94fb | 6v06 | 2025-01-10 11:06:38 | 2025-01-10 12:51:24 | 1 | Yes | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6v06/5F2CsUDV/2025-01-10_11-06-36/6v06.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6v06/5F2CsUDV/2025-01-10_11-06-36/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 263.41}}
|
-20311.6641 | 2025-01-10 11:54:12 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
326 | 8a36a5a9-22d4-4fc5-bcf6-d0bfb5c6c3a4 | 2h9r | 2025-01-10 11:01:38 | 2025-01-10 12:28:12 | 1 | Yes | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h9r/5FFApaS7/2025-01-10_11-01-37/2h9r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h9r/5FFApaS7/2025-01-10_11-01-37/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 330.4}}
|
-10943.0176 | 2025-01-10 11:46:51 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
325 | d41aa33d-4bdc-4b71-9196-2ca00a201c78 | 4lp4 | 2025-01-10 11:01:11 | 2025-01-10 12:50:18 | 1 | Yes | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lp4/5F2CsUDV/2025-01-10_11-01-09/4lp4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lp4/5F2CsUDV/2025-01-10_11-01-09/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 341.62}}
|
-26332.0938 | 2025-01-10 11:52:49 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
299 | a773c94f-e632-474b-a4c5-73ed614cddc2 | 1ick | 2025-01-10 10:58:35 | 2025-01-10 12:32:49 | 1 | Yes | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ick/5F4tQyWr/2025-01-10_10-58-34/1ick.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ick/5F4tQyWr/2025-01-10_10-58-34/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 302.08}}
|
-5440.1167 | 2025-01-10 12:03:59 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
324 | 84977ab8-f56d-45c1-86bf-146ee0048508 | 2mmb | 2025-01-10 10:58:15 | 2025-01-10 12:59:28 | 1 | Yes | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mmb/5HYk8DMK/2025-01-10_10-58-14/2mmb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mmb/5HYk8DMK/2025-01-10_10-58-14/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 375.25}}
|
-11826.6270 | 2025-01-10 12:26:47 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
323 | 80da67a7-4654-4296-ab4c-d3352b559d6e | 6wc6 | 2025-01-10 10:54:35 | 2025-01-10 12:48:46 | 1 | Yes | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wc6/5F2CsUDV/2025-01-10_10-54-33/6wc6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wc6/5F2CsUDV/2025-01-10_10-54-33/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 329.64}}
|
-74581.8125 | 2025-01-10 11:51:10 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
322 | a2de8913-4285-478f-9777-d38f459662af | 1bqx | 2025-01-10 10:54:34 | 2025-01-10 12:26:08 | 1 | Yes | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqx/5FFApaS7/2025-01-10_10-54-33/1bqx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqx/5FFApaS7/2025-01-10_10-54-33/em.cpt'}
|
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/opc3.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 348.48}}
|
-6569.1660 | 2025-01-10 11:45:16 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
321 | 81ab6a86-3020-45f4-a1e5-58fce5e5fc0a | 1v5f | 2025-01-10 10:53:52 | 2025-01-10 13:01:57 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5f/5Cg5QgjM/2025-01-10_10-53-50/1v5f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5f/5Cg5QgjM/2025-01-10_10-53-50/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 242.56}}
|
-23572.5488 | 2025-01-10 12:32:39 | 600 | 6 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5GeFCh4z/2025-01-10_13-02-04/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5HYVRNRE/2025-01-10_13-02-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5HpvMUZG/2025-01-10_13-02-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5EnT7oy4/2025-01-10_13-02-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5C8dR6A6/2025-01-10_13-02-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5GxgkVRW/2025-01-10_13-02-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5FLh1jsy/2025-01-10_13-02-17/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5GGb3rhZ/2025-01-10_13-02-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5CiGhHrn/2025-01-10_13-02-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5FFZBVP6/2025-01-10_13-02-17/md_0_1.cpt']
|
295 | 2798ffa0-cb9c-4470-9066-a861b78e096f | 1uo6 | 2025-01-10 10:53:29 | 2025-01-10 12:32:26 | 1 | Yes | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uo6/5F4tQyWr/2025-01-10_10-53-28/1uo6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uo6/5F4tQyWr/2025-01-10_10-53-28/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 385.5}}
|
-19752.8555 | 2025-01-10 12:03:04 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
319 | a7b10a3a-2e9b-4db7-b0d5-59378d60cabc | 1aye | 2025-01-10 10:51:45 | 2025-01-10 12:41:11 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aye/5Cg5QgjM/2025-01-10_10-51-43/1aye.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aye/5Cg5QgjM/2025-01-10_10-51-43/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 296.12}}
|
-29805.4883 | 2025-01-10 11:45:57 | 600 | 5 | 1500 | 1.000000 | 5 |
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