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
17066 5c8cf741-8443-4a05-b114-d08033caeb5a 2w0k 2025-02-02 05:37:08 2025-02-02 06:59:06 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2w0k/5GKH9FPP/2025-02-02_05-37-06/2w0k.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2w0k/5GKH9FPP/2025-02-02_05-37-06/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2w0k/5GKH9FPP/2025-02-02_05-37-06/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2w0k/5GKH9FPP/2025-02-02_05-37-06/2w0k.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 307.96}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 307.96 }, "water": "amber14/tip3pfb.xml" }
 -16811.6562 2025-02-02 06:21:03 600 5 1500 1.000000 5
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17065 e882ccc5-6151-4afd-8180-5ebd0192ca5e 6exq 2025-02-02 05:35:27 2025-02-02 06:58:00 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6exq/5GKH9FPP/2025-02-02_05-35-25/6exq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6exq/5GKH9FPP/2025-02-02_05-35-25/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6exq/5GKH9FPP/2025-02-02_05-35-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6exq/5GKH9FPP/2025-02-02_05-35-25/6exq.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 365.98}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.92, "temperature": 365.98 }, "water": "amber14/tip4pew.xml" }
 -34277.4102 2025-02-02 06:28:31 600 5 1500 1.000000 5
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17064 d7bf171a-e508-4508-b66c-736266ef4baa 7c34 2025-02-02 05:34:18 2025-02-02 08:09:53 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7c34/5Cg5QgjM/2025-02-02_05-34-15/7c34.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7c34/5Cg5QgjM/2025-02-02_05-34-15/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7c34/5Cg5QgjM/2025-02-02_05-34-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7c34/5Cg5QgjM/2025-02-02_05-34-15/7c34.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/tip4pew.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 394.37}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 394.37 }, "water": "charmm36/tip4pew.xml" }
 -22421.4609 2025-02-02 07:09:22 600 5 1500 1.000000 5
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17063 9d14ac71-0d29-4491-8bb1-56ad50cc38e3 1wk4 2025-02-02 05:29:58 2025-02-02 07:49:20 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wk4/5FFApaS7/2025-02-02_05-29-57/1wk4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wk4/5FFApaS7/2025-02-02_05-29-57/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wk4/5FFApaS7/2025-02-02_05-29-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wk4/5FFApaS7/2025-02-02_05-29-57/1wk4.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 272.92}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 272.92 }, "water": "amber14/tip3pfb.xml" }
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17031 78497d73-2be5-400b-8a43-855c2246b870 1qet 2025-02-02 05:29:57 2025-02-02 07:21:46 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qet/5F4tQyWr/2025-02-02_05-29-55/1qet.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qet/5F4tQyWr/2025-02-02_05-29-55/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qet/5F4tQyWr/2025-02-02_05-29-55/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qet/5F4tQyWr/2025-02-02_05-29-55/1qet.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 332.47}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 332.47 }, "water": "amber14/tip3pfb.xml" }
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17062 ff5a8976-de4c-40f1-9f4c-951f26a1d89e 4jh3 2025-02-02 05:29:53 2025-02-02 07:59:22 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jh3/5F2CsUDV/2025-02-02_05-29-50/4jh3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jh3/5F2CsUDV/2025-02-02_05-29-50/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jh3/5F2CsUDV/2025-02-02_05-29-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jh3/5F2CsUDV/2025-02-02_05-29-50/4jh3.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 245.44}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 245.44 }, "water": "charmm36/water.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5G3onMPU/2025-02-02_07-59-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5DP14rou/2025-02-02_07-59-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5Ec4Vqsh/2025-02-02_07-59-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5H5wXPTT/2025-02-02_07-59-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5Gbc1Dzo/2025-02-02_07-59-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5Fn13c2T/2025-02-02_07-59-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5CX1t6qK/2025-02-02_07-59-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5D9nYrVf/2025-02-02_07-59-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5HN4zGAv/2025-02-02_07-59-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jh3/5F2CsUDV/5CV8vqhD/2025-02-02_07-59-35/md_0_1.cpt" ]
17059 31e059d7-2588-45f8-ace1-4bf58b343902 2eor 2025-02-02 05:25:28 2025-02-02 08:11:15 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eor/5HYk8DMK/2025-02-02_05-25-27/2eor.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eor/5HYk8DMK/2025-02-02_05-25-27/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eor/5HYk8DMK/2025-02-02_05-25-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eor/5HYk8DMK/2025-02-02_05-25-27/2eor.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 308.91}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 308.91 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5FLh1jsy/2025-02-02_08-11-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5HYkJT1S/2025-02-02_08-11-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5HGuQx5w/2025-02-02_08-11-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5CMEJjrh/2025-02-02_08-11-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5FF48AEJ/2025-02-02_08-11-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5Gx3DkGG/2025-02-02_08-11-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5CkkTeB4/2025-02-02_08-11-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5CarftSX/2025-02-02_08-11-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5ESEfcCx/2025-02-02_08-11-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eor/5HYk8DMK/5E2VPvK2/2025-02-02_08-11-24/md_0_1.cpt" ]
17058 50231cc6-4246-473b-ac65-afa62434daa9 2bop 2025-02-02 05:24:55 2025-02-02 09:11:46 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bop/5HEo565W/2025-02-02_05-24-54/2bop.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bop/5HEo565W/2025-02-02_05-24-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bop/5HEo565W/2025-02-02_05-24-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bop/5HEo565W/2025-02-02_05-24-54/2bop.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 308.82}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 308.82 }, "water": "amber14/tip3pfb.xml" }
 -18374.3711 2025-02-02 06:51:35 600 5 1500 1.000000 5
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17057 1e04c483-12a6-45df-ba5b-d53b8467f6cb 3nbd 2025-02-02 05:24:47 2025-02-02 07:45:50 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3nbd/5FFApaS7/2025-02-02_05-24-46/3nbd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3nbd/5FFApaS7/2025-02-02_05-24-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3nbd/5FFApaS7/2025-02-02_05-24-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3nbd/5FFApaS7/2025-02-02_05-24-46/3nbd.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 320.31}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 320.31 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4b2v/5FFApaS7/2025-02-02_05-19-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4b2v/5FFApaS7/2025-02-02_05-19-50/4b2v.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 261.89}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 261.89 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 246.57}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.9, "temperature": 246.57 }, "water": "charmm36/water.xml" }
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17052 278e257a-a871-4730-a57c-d7525964c7e1 4cz4 2025-02-02 05:13:47 2025-02-02 06:40:15 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4cz4/5GKH9FPP/2025-02-02_05-13-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4cz4/5GKH9FPP/2025-02-02_05-13-45/4cz4.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 277.84}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 277.84 }, "water": "amber14/tip3pfb.xml" }
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17025 063c6a13-7b4b-49e0-a938-c8f572552ff0 1php 2025-02-02 05:13:34 2025-02-02 06:59:46 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1php/5F4tQyWr/2025-02-02_05-13-32/1php.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1php/5F4tQyWr/2025-02-02_05-13-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1php/5F4tQyWr/2025-02-02_05-13-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1php/5F4tQyWr/2025-02-02_05-13-32/1php.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 290.35}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 290.35 }, "water": "charmm36/water.xml" }
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17051 0c2652c3-962e-4aed-a8c2-d741ef302802 1ey1 2025-02-02 05:12:27 2025-02-02 07:24:45 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ey1/5Cg5QgjM/2025-02-02_05-12-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ey1/5Cg5QgjM/2025-02-02_05-12-24/1ey1.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 204.95}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 204.95 }, "water": "amber14/tip3pfb.xml" }
 -17342.4414 2025-02-02 06:09:17 600 5 1500 1.000000 5
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17050 6d4af2fe-7fc3-4587-8fb8-ffb5267fe0c1 2jso 2025-02-02 05:10:00 2025-02-02 07:24:04 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jso/5Cg5QgjM/2025-02-02_05-09-58/2jso.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jso/5Cg5QgjM/2025-02-02_05-09-58/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jso/5Cg5QgjM/2025-02-02_05-09-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jso/5Cg5QgjM/2025-02-02_05-09-58/2jso.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 239.22}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 239.22 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zx0/5Cg5QgjM/2025-02-02_05-06-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zx0/5Cg5QgjM/2025-02-02_05-06-56/2zx0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 206.26}}
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b5d/5HEo565W/2025-02-02_05-05-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b5d/5HEo565W/2025-02-02_05-05-07/1b5d.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 309.41}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 309.41 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 216.71}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 216.71 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6yjx/5F2CsUDV/2025-02-02_05-03-34/6yjx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6yjx/5F2CsUDV/2025-02-02_05-03-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6yjx/5F2CsUDV/2025-02-02_05-03-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6yjx/5F2CsUDV/2025-02-02_05-03-34/6yjx.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 294.26}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 294.26 }, "water": "amber14/tip3pfb.xml" }
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17045 62a9b245-05e0-4946-aad2-77e520b08d3c 2frc 2025-02-02 05:02:48 2025-02-02 08:16:06 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2frc/5HEo565W/2025-02-02_05-02-48/2frc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2frc/5HEo565W/2025-02-02_05-02-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2frc/5HEo565W/2025-02-02_05-02-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2frc/5HEo565W/2025-02-02_05-02-48/2frc.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 274.39}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 274.39 }, "water": "amber14/tip3pfb.xml" }
 -4706.3838 2025-02-02 07:21:12 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5EZJCvUK/2025-02-02_08-16-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5E4Eu5KB/2025-02-02_08-16-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5FRnnfyx/2025-02-02_08-16-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5CarftSX/2025-02-02_08-16-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5Ey8VdnS/2025-02-02_08-16-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5FxpkNkq/2025-02-02_08-16-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5FjT2qPt/2025-02-02_08-16-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5HbmGqZk/2025-02-02_08-16-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5GBzJfFq/2025-02-02_08-16-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2frc/5HEo565W/5DhPQXgo/2025-02-02_08-16-12/md_0_1.cpt" ]
Showing items 2821 to 2840 of 19881 entries