Jobs Dashboard

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
504 e1592fd8-fe29-4286-825c-f1197ce8a999 7q65 2025-01-10 17:55:39 2025-01-10 21:09:09 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss
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[ "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV", "5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5EPdShgZxXW19S6WLzbP9ZuJKGkFpaKyHgMZ83Wndfg74jtu", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7q65/5HEo565W/2025-01-10_17-55-39/7q65.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7q65/5HEo565W/2025-01-10_17-55-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7q65/5HEo565W/2025-01-10_17-55-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7q65/5HEo565W/2025-01-10_17-55-39/7q65.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 271.87}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 271.87 }, "water": "amber14/tip3pfb.xml" }
 -65701.4219 2025-01-10 19:34:03 600 4 1500 1.000000 5
['']
[ "" ]
475 fb8088ca-75c4-481f-944b-eac4df5c6e41 2yvs 2025-01-10 17:54:22 2025-01-10 19:49:38 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB
['5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722', '5DfSEtHiUm9zhk4NwP2uApd3iekYq4qiTKZa1gHKwM5AMgFU', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8']
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yvs/5F4tQyWr/2025-01-10_17-54-20/2yvs.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yvs/5F4tQyWr/2025-01-10_17-54-20/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yvs/5F4tQyWr/2025-01-10_17-54-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yvs/5F4tQyWr/2025-01-10_17-54-20/2yvs.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 308.4}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 308.4 }, "water": "charmm36/water.xml" }
 -38929.4531 2025-01-10 19:08:25 600 4 1500 1.000000 5
['']
[ "" ]
502 35924ab7-1151-45f5-a721-15384345a4d0 2n0n 2025-01-10 17:54:04 2025-01-10 21:02:58 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z
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[ "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB", "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n0n/5HEo565W/2025-01-10_17-54-03/2n0n.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n0n/5HEo565W/2025-01-10_17-54-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n0n/5HEo565W/2025-01-10_17-54-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n0n/5HEo565W/2025-01-10_17-54-03/2n0n.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 207.91}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 207.91 }, "water": "amber14/tip3pfb.xml" }
 -993.8907 2025-01-10 19:27:55 600 4 1500 1.000000 5
['']
[ "" ]
501 a970f145-9bb1-4b88-96bf-c89126857646 1ibi 2025-01-10 17:52:54 2025-01-10 21:02:29 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ibi/5HEo565W/2025-01-10_17-52-54/1ibi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ibi/5HEo565W/2025-01-10_17-52-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ibi/5HEo565W/2025-01-10_17-52-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ibi/5HEo565W/2025-01-10_17-52-54/1ibi.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 266.24}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.93, "temperature": 266.24 }, "water": "amber14/tip3pfb.xml" }
 -13849.6279 2025-01-10 19:27:27 600 4 1500 1.000000 5
['']
[ "" ]
500 62382cf5-55ec-4b01-a255-9c03b374b4fd 1d2v 2025-01-10 17:50:58 2025-01-10 20:02:27 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d2v/5F2CsUDV/2025-01-10_17-50-56/1d2v.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d2v/5F2CsUDV/2025-01-10_17-50-56/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d2v/5F2CsUDV/2025-01-10_17-50-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d2v/5F2CsUDV/2025-01-10_17-50-56/1d2v.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 339.13}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 339.13 }, "water": "charmm36/water.xml" }
 -88196.6406 2025-01-10 19:14:28 600 4 1500 1.000000 5
['']
[ "" ]
499 3d7978ad-89b4-48a9-8a6b-3c592b6038e3 3jyl 2025-01-10 17:49:04 2025-01-10 19:39:58 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3jyl/5Cg5QgjM/2025-01-10_17-49-02/3jyl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3jyl/5Cg5QgjM/2025-01-10_17-49-02/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3jyl/5Cg5QgjM/2025-01-10_17-49-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3jyl/5Cg5QgjM/2025-01-10_17-49-02/3jyl.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 337.98}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 337.98 }, "water": "charmm36/water.xml" }
 -8460.3418 2025-01-10 18:55:37 600 5 1500 1.000000 5
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hoa/5F4tQyWr/2025-01-10_17-46-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hoa/5F4tQyWr/2025-01-10_17-46-40/4hoa.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 292.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 292.16 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 373.0}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.94, "temperature": 373.0 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5Cg5QgjM/2025-01-10_17-43-12/7fcw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5Cg5QgjM/2025-01-10_17-43-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5Cg5QgjM/2025-01-10_17-43-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5Cg5QgjM/2025-01-10_17-43-12/7fcw.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 384.18}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 384.18 }, "water": "amber14/tip3pfb.xml" }
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467 aa297786-80bd-4c9b-b9d8-823b9fbe6a7a 1a8f 2025-01-10 17:40:29 2025-01-10 19:46:26 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj
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[ "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5CchUy6WjNF3NMTKNAuTMH3TuZAX5KCz63BHqzpabKFubxw1", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a8f/5F4tQyWr/2025-01-10_17-40-28/1a8f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a8f/5F4tQyWr/2025-01-10_17-40-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a8f/5F4tQyWr/2025-01-10_17-40-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a8f/5F4tQyWr/2025-01-10_17-40-28/1a8f.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 372.39}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 372.39 }, "water": "charmm36/water.xml" }
 -13480.4707 2025-01-10 19:05:10 600 4 1500 1.000000 5
['']
[ "" ]
496 bafdcddd-83e0-47fa-9637-a4c4c130b33a 2mbr 2025-01-10 17:33:26 2025-01-10 19:32:53 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94
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[ "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mbr/5CzFiYvB/2025-01-10_17-33-24/2mbr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mbr/5CzFiYvB/2025-01-10_17-33-24/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mbr/5CzFiYvB/2025-01-10_17-33-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mbr/5CzFiYvB/2025-01-10_17-33-24/2mbr.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 324.6}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 324.6 }, "water": "charmm36/water.xml" }
 -13306.7139 2025-01-10 18:15:40 600 4 1500 1.000000 5
['']
[ "" ]
495 ab6ae359-a709-43ed-b715-4afd809ea2ff 4azu 2025-01-10 17:32:28 2025-01-10 18:30:20 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2
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[ "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4azu/5CzFiYvB/2025-01-10_17-32-26/4azu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4azu/5CzFiYvB/2025-01-10_17-32-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4azu/5CzFiYvB/2025-01-10_17-32-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4azu/5CzFiYvB/2025-01-10_17-32-26/4azu.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 265.81}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 265.81 }, "water": "charmm36/water.xml" }
 -15277.5508 2025-01-10 18:13:56 600 4 1500 1.000000 5
['']
[ "" ]
494 daa34495-5882-4072-95f6-b252a06d5df1 7oz0 2025-01-10 17:32:04 2025-01-10 18:28:50 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oz0/5CzFiYvB/2025-01-10_17-32-02/7oz0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oz0/5CzFiYvB/2025-01-10_17-32-02/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oz0/5CzFiYvB/2025-01-10_17-32-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7oz0/5CzFiYvB/2025-01-10_17-32-02/7oz0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 260.54}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 260.54 }, "water": "amber14/tip3pfb.xml" }
 -11530.3203 2025-01-10 17:55:59 600 4 1500 1.000000 5
['']
[ "" ]
493 a841c605-455e-4cad-9000-815d6a7bffe4 7er6 2025-01-10 17:31:50 2025-01-10 18:27:52 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7er6/5CzFiYvB/2025-01-10_17-31-48/7er6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7er6/5CzFiYvB/2025-01-10_17-31-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7er6/5CzFiYvB/2025-01-10_17-31-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7er6/5CzFiYvB/2025-01-10_17-31-48/7er6.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 261.58}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 261.58 }, "water": "amber14/tip3pfb.xml" }
 -36719.4219 2025-01-10 17:55:37 600 4 1500 1.000000 5
['']
[ "" ]
492 8ba0eae1-08eb-44a7-8ddc-bf4e7729e741 1bqa 2025-01-10 17:31:31 2025-01-10 18:27:01 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqa/5CzFiYvB/2025-01-10_17-31-27/1bqa.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqa/5CzFiYvB/2025-01-10_17-31-27/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqa/5CzFiYvB/2025-01-10_17-31-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqa/5CzFiYvB/2025-01-10_17-31-27/1bqa.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 345.01}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 345.01 }, "water": "amber14/tip3pfb.xml" }
 -67381.2109 2025-01-10 18:10:58 600 4 1500 1.000000 5
['']
[ "" ]
491 573b62b4-e5ea-4db8-8697-ed155986241a 4xuy 2025-01-10 17:31:25 2025-01-10 21:01:55 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xuy/5HEo565W/2025-01-10_17-31-24/4xuy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xuy/5HEo565W/2025-01-10_17-31-24/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xuy/5HEo565W/2025-01-10_17-31-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xuy/5HEo565W/2025-01-10_17-31-24/4xuy.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 399.44}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 399.44 }, "water": "amber14/tip3pfb.xml" }
 0.0000 2025-01-10 18:40:35 600 4 1500 1.000000 5
['']
[ "" ]
490 0eade586-2c6c-4020-ba35-9293c9224294 8ean 2025-01-10 17:30:23 2025-01-10 18:25:32 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd
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[ "5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5CfhGjuG47Rq33JeFxhHmA3jRiXbPPWrGbKkZ7mv5Qq88oRK", "5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB", "5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ean/5CzFiYvB/2025-01-10_17-30-21/8ean.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ean/5CzFiYvB/2025-01-10_17-30-21/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ean/5CzFiYvB/2025-01-10_17-30-21/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ean/5CzFiYvB/2025-01-10_17-30-21/8ean.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 263.52}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 263.52 }, "water": "amber14/tip3pfb.xml" }
 -145226.2969 2025-01-10 17:52:54 600 4 1500 1.000000 5
['']
[ "" ]
489 2c62fb0a-c70c-4b6e-b012-8a02f7792b5c 2mhq 2025-01-10 17:29:18 2025-01-10 18:22:06 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud
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[ "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhq/5CzFiYvB/2025-01-10_17-29-17/2mhq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhq/5CzFiYvB/2025-01-10_17-29-17/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhq/5CzFiYvB/2025-01-10_17-29-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhq/5CzFiYvB/2025-01-10_17-29-17/2mhq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 301.42}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 301.42 }, "water": "amber14/tip3pfb.xml" }
 -9616.5869 2025-01-10 17:50:45 600 4 1500 1.000000 5
['']
[ "" ]
488 93dbeed5-84d5-4251-9ebf-6f96eaabee32 1yzr 2025-01-10 17:29:13 2025-01-10 18:21:48 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2
['5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2']
[ "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yzr/5CzFiYvB/2025-01-10_17-29-11/1yzr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yzr/5CzFiYvB/2025-01-10_17-29-11/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yzr/5CzFiYvB/2025-01-10_17-29-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yzr/5CzFiYvB/2025-01-10_17-29-11/1yzr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 209.45}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 209.45 }, "water": "amber14/tip3pfb.xml" }
 -19264.1152 2025-01-10 18:05:47 600 4 1500 1.000000 5
['']
[ "" ]
487 f861c400-6804-4a3a-91f4-e4933799f799 7sjj 2025-01-10 17:28:49 2025-01-10 18:21:13 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd
['5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK', '5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd']
[ "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7sjj/5CzFiYvB/2025-01-10_17-28-48/7sjj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7sjj/5CzFiYvB/2025-01-10_17-28-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7sjj/5CzFiYvB/2025-01-10_17-28-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7sjj/5CzFiYvB/2025-01-10_17-28-48/7sjj.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 327.31}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 327.31 }, "water": "amber14/tip3pfb.xml" }
 -7508.0986 2025-01-10 17:49:20 600 4 1500 1.000000 5
['']
[ "" ]
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