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
15892 202a06d0-34cb-4aa5-8346-332db6afaee8 1hgf 2025-01-31 16:01:08 2025-01-31 19:57:48 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/1hgf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hgf/5FFApaS7/2025-01-31_16-01-07/1hgf.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 356.85}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 356.85 }, "water": "amber14/tip3pfb.xml" }
 -134504.6250 2025-01-31 17:50:20 600 5 1500 1.000000 5
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15862 fd7238df-a199-4fa7-b3f5-61c314857ec2 2k4m 2025-01-31 15:50:40 2025-01-31 18:39:42 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/2k4m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k4m/5F4tQyWr/2025-01-31_15-50-38/2k4m.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 228.02}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 228.02 }, "water": "amber14/tip3pfb.xml" }
 -16084.7549 2025-01-31 17:21:43 600 5 1500 1.000000 5
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15861 ad1e418d-1054-4424-a291-2a837e991bc9 4glb 2025-01-31 15:49:31 2025-01-31 18:38:54 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/4glb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4glb/5F4tQyWr/2025-01-31_15-49-30/4glb.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 395.9}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 395.9 }, "water": "charmm36/water.xml" }
 -16553.8730 2025-01-31 17:40:36 600 5 1500 1.000000 5
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15891 bfc34272-ddfc-4163-85cf-e4ff1073e7da 4omw 2025-01-31 15:45:36 2025-01-31 19:17:51 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/4omw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4omw/5GKH9FPP/2025-01-31_15-45-23/4omw.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 354.85}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 354.85 }, "water": "charmm36/water.xml" }
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15890 eb51a92c-adff-4bdc-a158-d49a0cd40e45 1azb 2025-01-31 15:43:04 2025-01-31 19:08:50 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/1azb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1azb/5GKH9FPP/2025-01-31_15-42-57/1azb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 269.04}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 269.04 }, "water": "amber14/tip3pfb.xml" }
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15889 217b6fd6-8bcd-4601-81b1-0240243a15f1 2fm4 2025-01-31 15:41:35 2025-01-31 20:54:49 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/2fm4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2fm4/5HEo565W/2025-01-31_15-41-34/2fm4.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 370.4}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 370.4 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 357.64}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 357.64 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w8e/5FFApaS7/2025-01-31_15-37-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3w8e/5FFApaS7/2025-01-31_15-37-11/3w8e.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 361.71}}
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2paf/5F4tQyWr/2025-01-31_15-36-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2paf/5F4tQyWr/2025-01-31_15-36-43/2paf.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 368.11}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 368.11 }, "water": "charmm36/water.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 244.44}}
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixi/5FFApaS7/2025-01-31_15-30-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixi/5FFApaS7/2025-01-31_15-30-37/2ixi.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 307.48}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 307.48 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qgb/5Cg5QgjM/2025-01-31_15-22-24/1qgb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qgb/5Cg5QgjM/2025-01-31_15-22-24/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qgb/5Cg5QgjM/2025-01-31_15-22-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qgb/5Cg5QgjM/2025-01-31_15-22-24/1qgb.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 370.44}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 370.44 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jt4/5F2CsUDV/2025-01-31_15-22-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jt4/5F2CsUDV/2025-01-31_15-22-37/4jt4.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 214.35}}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 214.74}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 214.74 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qxn/5HYk8DMK/2025-01-31_15-17-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qxn/5HYk8DMK/2025-01-31_15-17-48/1qxn.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 245.96}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 245.96 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 272.24}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 272.24 }, "water": "charmm36/water.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 308.35}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 308.35 }, "water": "amber14/tip3pfb.xml" }
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15876 91a5b930-3b35-41f8-830a-9ebaff24b6f6 1pt3 2025-01-31 15:11:45 2025-01-31 20:04:55 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pt3/5HEo565W/2025-01-31_15-11-44/1pt3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pt3/5HEo565W/2025-01-31_15-11-44/em.cpt'}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 382.69}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 382.69 }, "water": "amber14/tip3pfb.xml" }
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15875 da5e313c-1714-4d28-8f50-18c079ba4126 2knx 2025-01-31 15:11:28 2025-01-31 20:01:00 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2knx/5HEo565W/2025-01-31_15-11-27/2knx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2knx/5HEo565W/2025-01-31_15-11-27/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2knx/5HEo565W/2025-01-31_15-11-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2knx/5HEo565W/2025-01-31_15-11-27/2knx.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 254.44}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 254.44 }, "water": "amber14/tip3pfb.xml" }
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15874 2f32f59d-f55c-4b17-9822-0d45510f0b10 1tc8 2025-01-31 15:11:27 2025-01-31 18:14:09 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tc8/5HYk8DMK/2025-01-31_15-11-26/1tc8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tc8/5HYk8DMK/2025-01-31_15-11-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tc8/5HYk8DMK/2025-01-31_15-11-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tc8/5HYk8DMK/2025-01-31_15-11-26/1tc8.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 285.25}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 285.25 }, "water": "charmm36/water.xml" }
 -7462.6997 2025-01-31 16:28:12 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5Gdn7dSR/2025-01-31_18-14-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5EqEJuYc/2025-01-31_18-14-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5D9nYrVf/2025-01-31_18-14-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5GhHYpa2/2025-01-31_18-14-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5EhomZa6/2025-01-31_18-14-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5HGuQx5w/2025-01-31_18-14-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5D4pv1fQ/2025-01-31_18-14-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5Eji3erb/2025-01-31_18-14-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5FNEiDZG/2025-01-31_18-14-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tc8/5HYk8DMK/5Ec4Vqsh/2025-01-31_18-14-26/md_0_1.cpt" ]
Showing items 1641 to 1660 of 17530 entries