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
11425 f8169f9e-435e-4010-a07d-eb0826649703 1d7c 2025-01-25 12:26:35 2025-01-25 14:01:19 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ
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[ "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ", "5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3", "5G4kqfwhurhV3cjMMd28JRWMYHQiFW51F6txfZaxWe63cBC9", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d7c/5FFApaS7/2025-01-25_12-26-34/1d7c.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d7c/5FFApaS7/2025-01-25_12-26-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d7c/5FFApaS7/2025-01-25_12-26-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d7c/5FFApaS7/2025-01-25_12-26-34/1d7c.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 293.96}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 293.96 }, "water": "amber14/tip3pfb.xml" }
 -12217.5371 2025-01-25 12:48:28 600 5 1500 1.000000 5
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11424 b4ff8bf9-a5c0-4a7b-aaa0-e3eb0fbd2fe6 3a85 2025-01-25 12:26:04 2025-01-25 13:58:50 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a85/5FFApaS7/2025-01-25_12-26-03/3a85.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a85/5FFApaS7/2025-01-25_12-26-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a85/5FFApaS7/2025-01-25_12-26-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a85/5FFApaS7/2025-01-25_12-26-03/3a85.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 311.09}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 311.09 }, "water": "amber14/tip3pfb.xml" }
 -10570.8604 2025-01-25 13:21:11 600 5 1500 1.000000 5
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11423 54fe6e91-bcf1-4444-bdde-49e54cd08229 2ed6 2025-01-25 12:23:36 2025-01-25 13:57:15 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ed6/5FFApaS7/2025-01-25_12-22-46/2ed6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ed6/5FFApaS7/2025-01-25_12-22-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ed6/5FFApaS7/2025-01-25_12-22-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ed6/5FFApaS7/2025-01-25_12-22-46/2ed6.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip4pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 352.31}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.07, "temperature": 352.31 }, "water": "amber14/tip4pfb.xml" }
 -223135.3125 2025-01-25 12:59:38 600 5 1500 1.000000 5
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11396 84393e6b-8d1c-40e6-98f2-d386b89435b1 6wap 2025-01-25 12:21:27 2025-01-25 14:00:02 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wap/5F4tQyWr/2025-01-25_12-21-25/6wap.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wap/5F4tQyWr/2025-01-25_12-21-25/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wap/5F4tQyWr/2025-01-25_12-21-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wap/5F4tQyWr/2025-01-25_12-21-25/6wap.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 288.72}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 288.72 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gv8/5Cg5QgjM/2025-01-25_12-20-36/1gv8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gv8/5Cg5QgjM/2025-01-25_12-20-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gv8/5Cg5QgjM/2025-01-25_12-20-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gv8/5Cg5QgjM/2025-01-25_12-20-36/1gv8.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 307.03}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 307.03 }, "water": "charmm36/water.xml" }
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11395 72f35e9f-a0f7-427d-8748-eb9f82812531 1tvw 2025-01-25 12:19:17 2025-01-25 13:58:30 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tvw/5F4tQyWr/2025-01-25_12-19-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tvw/5F4tQyWr/2025-01-25_12-19-16/1tvw.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 265.31}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 265.31 }, "water": "amber14/tip3pfb.xml" }
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11419 56e423b6-c09d-4fa3-a138-207361ded0dd 5grk 2025-01-25 12:06:29 2025-01-25 13:51:53 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5grk/5Cg5QgjM/2025-01-25_12-04-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5grk/5Cg5QgjM/2025-01-25_12-04-31/5grk.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 208.43}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 208.43 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1omg/5F4tQyWr/2025-01-25_12-05-16/1omg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1omg/5F4tQyWr/2025-01-25_12-05-16/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1omg/5F4tQyWr/2025-01-25_12-05-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1omg/5F4tQyWr/2025-01-25_12-05-16/1omg.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 298.49}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 298.49 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w83/5F4tQyWr/2025-01-25_12-05-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w83/5F4tQyWr/2025-01-25_12-05-07/3w83.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 292.91}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.1, "temperature": 292.91 }, "water": "charmm36/water.xml" }
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11388 3d069660-e23d-4dc4-9217-19c730406252 1eqx 2025-01-25 12:03:47 2025-01-25 14:14:31 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eqx/5F4tQyWr/2025-01-25_12-03-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eqx/5F4tQyWr/2025-01-25_12-03-46/1eqx.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 372.28}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 372.28 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8crg/5GKH9FPP/2025-01-25_12-02-55/8crg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8crg/5GKH9FPP/2025-01-25_12-02-55/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8crg/5GKH9FPP/2025-01-25_12-02-55/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8crg/5GKH9FPP/2025-01-25_12-02-55/8crg.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 281.41}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 281.41 }, "water": "charmm36/water.xml" }
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11417 5a67fb21-de04-4fee-8fee-1723cc6b0231 5viz 2025-01-25 12:02:38 2025-01-25 13:43:56 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5viz/5Cg5QgjM/2025-01-25_12-02-36/5viz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5viz/5Cg5QgjM/2025-01-25_12-02-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5viz/5Cg5QgjM/2025-01-25_12-02-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5viz/5Cg5QgjM/2025-01-25_12-02-36/5viz.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 248.76}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 248.76 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5u9d/5GKH9FPP/2025-01-25_12-01-06/5u9d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5u9d/5GKH9FPP/2025-01-25_12-01-06/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5u9d/5GKH9FPP/2025-01-25_12-01-06/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5u9d/5GKH9FPP/2025-01-25_12-01-06/5u9d.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 365.38}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 365.38 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m6e/5Cg5QgjM/2025-01-25_11-59-25/1m6e.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m6e/5Cg5QgjM/2025-01-25_11-59-25/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m6e/5Cg5QgjM/2025-01-25_11-59-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1m6e/5Cg5QgjM/2025-01-25_11-59-25/1m6e.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 207.31}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 207.31 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ifj/5FFApaS7/2025-01-25_11-57-42/3ifj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ifj/5FFApaS7/2025-01-25_11-57-42/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ifj/5FFApaS7/2025-01-25_11-57-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ifj/5FFApaS7/2025-01-25_11-57-42/3ifj.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 379.59}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 379.59 }, "water": "amber14/tip3pfb.xml" }
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11413 a162f619-fffc-4616-9f94-33ab3a93d0b7 2phg 2025-01-25 11:55:30 2025-01-25 13:39:02 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phg/5GKH9FPP/2025-01-25_11-55-28/2phg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phg/5GKH9FPP/2025-01-25_11-55-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phg/5GKH9FPP/2025-01-25_11-55-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phg/5GKH9FPP/2025-01-25_11-55-28/2phg.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 262.71}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 262.71 }, "water": "amber14/tip3pfb.xml" }
 -24657.3750 2025-01-25 12:33:49 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5FKYxVkM/2025-01-25_13-39-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5HotM239/2025-01-25_13-39-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5G3onMPU/2025-01-25_13-39-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5HGZLfCa/2025-01-25_13-39-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5GR4rEwj/2025-01-25_13-39-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5GBxk4YT/2025-01-25_13-39-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5FsanqbF/2025-01-25_13-39-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5F4Vi7rw/2025-01-25_13-39-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5HjbTouu/2025-01-25_13-39-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2phg/5GKH9FPP/5CkvSoEP/2025-01-25_13-39-12/md_0_1.cpt" ]
11411 fb48389e-a225-4a37-a632-a2efacb4f602 2mxv 2025-01-25 11:54:03 2025-01-25 14:06:26 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mxv/5HYk8DMK/2025-01-25_11-54-02/2mxv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mxv/5HYk8DMK/2025-01-25_11-54-02/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mxv/5HYk8DMK/2025-01-25_11-54-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mxv/5HYk8DMK/2025-01-25_11-54-02/2mxv.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 301.29}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 301.29 }, "water": "charmm36/water.xml" }
 -2120.5728 2025-01-25 13:19:21 600 5 1500 1.000000 5
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11383 010c52a3-7897-448e-83fb-4445e392ba7c 1fiv 2025-01-25 11:48:27 2025-01-25 13:14:47 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fiv/5F4tQyWr/2025-01-25_11-48-26/1fiv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fiv/5F4tQyWr/2025-01-25_11-48-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fiv/5F4tQyWr/2025-01-25_11-48-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fiv/5F4tQyWr/2025-01-25_11-48-26/1fiv.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 309.81}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 309.81 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e5k/5F4tQyWr/2025-01-25_11-44-57/6e5k.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e5k/5F4tQyWr/2025-01-25_11-44-57/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e5k/5F4tQyWr/2025-01-25_11-44-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e5k/5F4tQyWr/2025-01-25_11-44-57/6e5k.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 341.35}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 341.35 }, "water": "amber14/tip3pfb.xml" }
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11409 a0aa93a6-eca4-49e7-87be-3c44f982a173 5lwc 2025-01-25 11:44:18 2025-01-25 15:29:08 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lwc/5F2CsUDV/2025-01-25_11-44-16/5lwc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lwc/5F2CsUDV/2025-01-25_11-44-16/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lwc/5F2CsUDV/2025-01-25_11-44-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lwc/5F2CsUDV/2025-01-25_11-44-16/5lwc.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 324.35}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 324.35 }, "water": "amber14/tip3pfb.xml" }
 -3030.7712 2025-01-25 13:29:46 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5Eq9hKu9/2025-01-25_15-29-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5Dka3Vh6/2025-01-25_15-29-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5HdRGSwc/2025-01-25_15-29-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5CJmAajh/2025-01-25_15-29-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5Dyv2T3R/2025-01-25_15-29-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5D9nYrVf/2025-01-25_15-29-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5DST8S6N/2025-01-25_15-29-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5FxpkNkq/2025-01-25_15-29-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5EEy7nWM/2025-01-25_15-29-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lwc/5F2CsUDV/5CarftSX/2025-01-25_15-29-19/md_0_1.cpt" ]
Showing items 421 to 440 of 11840 entries