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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1717 | c6ede6b8-6e3e-4811-947e-6bfd2e667bc9 | 3qyl | 2025-01-12 17:19:50 | 2025-01-12 18:36:18 | 1 | Yes | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA |
['5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qyl/5CzFiYvB/2025-01-12_17-19-49/3qyl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qyl/5CzFiYvB/2025-01-12_17-19-49/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 317.16}}
|
-6037.9937 | 2025-01-12 18:02:34 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1716 | 4c100efa-f200-4a05-a67a-d8e45bb618f2 | 1h6m | 2025-01-12 17:18:21 | 2025-01-12 18:49:40 | 1 | Yes | No | 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 | 5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h6m/5GKH9FPP/2025-01-12_17-18-19/1h6m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h6m/5GKH9FPP/2025-01-12_17-18-19/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 307.31}}
|
-10340.7822 | 2025-01-12 18:14:02 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1715 | 43d6bd17-0ef6-4183-8d4d-a06f031f089e | 1co6 | 2025-01-12 17:18:04 | 2025-01-12 19:50:27 | 1 | Yes | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1co6/5FFApaS7/2025-01-12_17-18-02/1co6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1co6/5FFApaS7/2025-01-12_17-18-02/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 371.24}}
|
-3330.5508 | 2025-01-12 19:01:03 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1714 | 4373eefd-8881-450b-8bac-e42ce6c36d2e | 1ngz | 2025-01-12 17:17:40 | 2025-01-12 19:08:54 | 1 | Yes | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7 |
['5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ngz/5HYk8DMK/2025-01-12_17-17-38/1ngz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ngz/5HYk8DMK/2025-01-12_17-17-38/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 382.89}}
|
-24888.4219 | 2025-01-12 17:55:52 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1713 | 09a3b556-759d-400e-8971-dd01458e2538 | 2ep1 | 2025-01-12 17:15:30 | 2025-01-12 19:28:42 | 1 | Yes | No | 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 | 5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7 |
['5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5EPdShgZxXW19S6WLzbP9ZuJKGkFpaKyHgMZ83Wndfg74jtu', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ep1/5HEo565W/2025-01-12_17-15-30/2ep1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ep1/5HEo565W/2025-01-12_17-15-30/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 347.01}}
|
-2583.2742 | 2025-01-12 18:04:33 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1679 | 7df01016-298b-4f98-8bd4-b8d8ca353956 | 1jw8 | 2025-01-12 17:15:01 | 2025-01-12 19:07:38 | 1 | Yes | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jw8/5F4tQyWr/2025-01-12_17-14-59/1jw8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jw8/5F4tQyWr/2025-01-12_17-14-59/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 398.57}}
|
-10728.2383 | 2025-01-12 18:02:22 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1712 | 8ef172b0-d3a4-425f-8633-bf7dd045e379 | 1ge7 | 2025-01-12 17:13:43 | 2025-01-12 19:14:59 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn |
['5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ge7/5Cg5QgjM/2025-01-12_17-13-41/1ge7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ge7/5Cg5QgjM/2025-01-12_17-13-41/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 336.04}}
|
-19125.6719 | 2025-01-12 18:08:53 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5Ew6RyYq/2025-01-12_19-15-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5HawdYry/2025-01-12_19-15-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5HonwvyF/2025-01-12_19-15-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5GeHm4rw/2025-01-12_19-15-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5CATsG1V/2025-01-12_19-15-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5HmPbPUa/2025-01-12_19-15-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5CD6SYMs/2025-01-12_19-15-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5Eh1ZgyG/2025-01-12_19-15-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5FRHk95S/2025-01-12_19-15-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ge7/5Cg5QgjM/5HYQvFSS/2025-01-12_19-15-20/md_0_1.cpt']
|
1711 | 171d0683-7cb6-4395-94e6-6619751f4b45 | 6my2 | 2025-01-12 17:13:34 | 2025-01-12 18:35:17 | 1 | Yes | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y |
['5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex', '5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y', '5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5H1KPL1ybHobXtbhk2b3cYeFR3A3xfZnDRyuT5Sii181KizQ']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6my2/5CzFiYvB/2025-01-12_17-13-32/6my2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6my2/5CzFiYvB/2025-01-12_17-13-32/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 373.95}}
|
-2878.0579 | 2025-01-12 18:01:35 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1710 | 5f801cb0-7cd4-4214-8ef2-a27e9183231e | 1wic | 2025-01-12 17:12:28 | 2025-01-12 19:08:01 | 1 | Yes | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB |
['5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wic/5HYk8DMK/2025-01-12_17-12-26/1wic.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wic/5HYk8DMK/2025-01-12_17-12-26/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 214.67}}
|
-5744.3428 | 2025-01-12 17:54:40 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1709 | 3a5159a9-aa32-41bd-8dbd-b5685d351deb | 5kqy | 2025-01-12 17:11:15 | 2025-01-12 19:19:43 | 1 | Yes | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kqy/5F2CsUDV/2025-01-12_17-11-13/5kqy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kqy/5F2CsUDV/2025-01-12_17-11-13/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 232.6}}
|
-7422.5474 | 2025-01-12 18:09:48 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1708 | 73e72e82-376a-44f6-823c-82c3954a3358 | 1izd | 2025-01-12 17:10:37 | 2025-01-12 19:13:51 | 1 | No | No | 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy | 5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1izd/5Cg5QgjM/2025-01-12_17-10-35/1izd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1izd/5Cg5QgjM/2025-01-12_17-10-35/em.cpt'}
|
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 350.06}}
|
-23105.5996 | 2025-01-12 18:08:00 | 600 | 5 | 1500 | 1.000000 | 5 |
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5DRiwcLf/2025-01-12_19-13-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5CQE5GHo/2025-01-12_19-13-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5DAAjjm6/2025-01-12_19-13-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5DV5sJdm/2025-01-12_19-14-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5EyWujpT/2025-01-12_19-14-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5ENZdoRq/2025-01-12_19-14-00/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5CkkTeB4/2025-01-12_19-14-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5DdAr5Uw/2025-01-12_19-14-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5EnT7oy4/2025-01-12_19-14-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1izd/5Cg5QgjM/5CJuq1tv/2025-01-12_19-14-01/md_0_1_old.cpt']
|
1674 | 58eb7385-81a3-43dc-9125-871b39aa7ea7 | 6sew | 2025-01-12 17:10:07 | 2025-01-12 19:06:57 | 1 | Yes | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sew/5F4tQyWr/2025-01-12_17-10-06/6sew.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sew/5F4tQyWr/2025-01-12_17-10-06/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 387.24}}
|
-13247.0400 | 2025-01-12 18:01:42 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1707 | 04485578-1111-4143-b0cc-e552668b4fa7 | 3rn3 | 2025-01-12 17:09:58 | 2025-01-12 19:17:40 | 1 | Yes | No | 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ | 5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7 |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3rn3/5F2CsUDV/2025-01-12_17-09-56/3rn3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3rn3/5F2CsUDV/2025-01-12_17-09-56/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 325.18}}
|
-9970.1338 | 2025-01-12 18:07:38 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1706 | dbabd56e-6072-4141-843e-6027f64be3ff | 1v8g | 2025-01-12 17:09:27 | 2025-01-12 18:34:55 | 1 | Yes | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD |
['5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr', '5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD']
|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v8g/5CzFiYvB/2025-01-12_17-09-25/1v8g.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v8g/5CzFiYvB/2025-01-12_17-09-25/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 201.02}}
|
-60417.5586 | 2025-01-12 18:15:24 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1705 | c463b7fa-44d5-402a-8063-5b984834b1a5 | 4hl0 | 2025-01-12 17:05:18 | 2025-01-12 19:06:00 | 1 | Yes | No | 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 | 5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hl0/5HYk8DMK/2025-01-12_17-05-17/4hl0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hl0/5HYk8DMK/2025-01-12_17-05-17/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 352.88}}
|
-41913.6055 | 2025-01-12 18:44:08 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1704 | fedb8c5a-dfb4-407c-a797-86d5a6e7207e | 2ksp | 2025-01-12 17:02:32 | 2025-01-12 18:32:03 | 1 | Yes | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ksp/5CzFiYvB/2025-01-12_17-02-30/2ksp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ksp/5CzFiYvB/2025-01-12_17-02-30/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 215.8}}
|
-8163.5435 | 2025-01-12 17:59:05 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1670 | 718acee5-1453-453b-b8bc-09ef0d3e2228 | 3zpm | 2025-01-12 17:00:12 | 2025-01-12 19:06:31 | 1 | Yes | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3zpm/5F4tQyWr/2025-01-12_17-00-11/3zpm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3zpm/5F4tQyWr/2025-01-12_17-00-11/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 312.64}}
|
-13581.3848 | 2025-01-12 18:00:38 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1703 | 80866097-6975-49c4-8fb6-8018d71f63c8 | 1nco | 2025-01-12 16:58:55 | 2025-01-12 19:48:04 | 1 | Yes | No | 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v | 5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nco/5FFApaS7/2025-01-12_16-58-54/1nco.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nco/5FFApaS7/2025-01-12_16-58-54/em.cpt'}
|
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 279.54}}
|
-11708.0264 | 2025-01-12 18:58:46 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1702 | 0cc9fa93-4665-4e3d-91e5-3545988f6b86 | 1ge7 | 2025-01-12 16:55:41 | 2025-01-12 18:31:05 | 1 | Yes | No | 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J | 5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ge7/5CzFiYvB/2025-01-12_16-55-40/1ge7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ge7/5CzFiYvB/2025-01-12_16-55-40/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 211.91}}
|
-7172.8628 | 2025-01-12 17:58:07 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|
1666 | b42e25ed-db6f-4f25-9af9-104f0824d099 | 1rk1 | 2025-01-12 16:51:38 | 2025-01-12 19:05:58 | 1 | Yes | No | 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 | 5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi |
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|
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rk1/5F4tQyWr/2025-01-12_16-51-36/1rk1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rk1/5F4tQyWr/2025-01-12_16-51-36/em.cpt'}
|
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 316.45}}
|
-28447.6523 | 2025-01-12 17:59:31 | 600 | 4 | 1500 | 1.000000 | 5 |
['']
|