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
12340 8e7fdebd-58cc-4b7a-ab65-09a3f4a33dc8 1kf4 2025-01-27 01:56:27 2025-01-27 03:50:19 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kf4/5FFApaS7/2025-01-27_01-56-26/1kf4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kf4/5FFApaS7/2025-01-27_01-56-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kf4/5FFApaS7/2025-01-27_01-56-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kf4/5FFApaS7/2025-01-27_01-56-26/1kf4.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 357.22}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 357.22 }, "water": "amber14/tip3pfb.xml" }
 -8915.3799 2025-01-27 02:59:49 600 5 1500 1.000000 5
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12339 71b1f462-9b68-4925-97b5-b0ea6db49372 1sqy 2025-01-27 01:52:09 2025-01-27 04:40:28 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sqy/5HYk8DMK/2025-01-27_01-52-07/1sqy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sqy/5HYk8DMK/2025-01-27_01-52-07/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sqy/5HYk8DMK/2025-01-27_01-52-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sqy/5HYk8DMK/2025-01-27_01-52-07/1sqy.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 310.7}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 310.7 }, "water": "charmm36/water.xml" }
 -50033.7148 2025-01-27 03:33:08 600 5 1500 1.000000 5
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12338 325e2907-44f3-4f05-9634-e88a73e15e45 2lhi 2025-01-27 01:51:20 2025-01-27 03:40:09 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhi/5Cg5QgjM/2025-01-27_01-51-17/2lhi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhi/5Cg5QgjM/2025-01-27_01-51-17/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhi/5Cg5QgjM/2025-01-27_01-51-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lhi/5Cg5QgjM/2025-01-27_01-51-17/2lhi.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 300.25}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 300.25 }, "water": "amber14/tip3pfb.xml" }
 -8810.9893 2025-01-27 03:00:23 600 5 1500 1.000000 5
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12337 cf2d939e-b530-4fca-9fa4-395fe22e82c9 4mdn 2025-01-27 01:45:54 2025-01-27 04:31:40 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mdn/5GKH9FPP/2025-01-27_01-45-49/4mdn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mdn/5GKH9FPP/2025-01-27_01-45-49/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mdn/5GKH9FPP/2025-01-27_01-45-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mdn/5GKH9FPP/2025-01-27_01-45-49/4mdn.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 221.95}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 221.95 }, "water": "charmm36/water.xml" }
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12335 a9a7ec93-13dd-4275-b156-83e5d0826342 8v5x 2025-01-27 01:38:36 2025-01-27 03:26:15 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8v5x/5Cg5QgjM/2025-01-27_01-38-34/8v5x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8v5x/5Cg5QgjM/2025-01-27_01-38-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8v5x/5Cg5QgjM/2025-01-27_01-38-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8v5x/5Cg5QgjM/2025-01-27_01-38-34/8v5x.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 217.4}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 217.4 }, "water": "amber14/tip3pfb.xml" }
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12334 500822cb-d2dd-4f5b-bac8-c334c51a3874 4i06 2025-01-27 01:38:13 2025-01-27 03:25:39 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i06/5Cg5QgjM/2025-01-27_01-38-09/4i06.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i06/5Cg5QgjM/2025-01-27_01-38-09/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i06/5Cg5QgjM/2025-01-27_01-38-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4i06/5Cg5QgjM/2025-01-27_01-38-09/4i06.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 344.04}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 344.04 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qmw/5F2CsUDV/2025-01-27_01-37-44/1qmw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qmw/5F2CsUDV/2025-01-27_01-37-44/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qmw/5F2CsUDV/2025-01-27_01-37-44/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qmw/5F2CsUDV/2025-01-27_01-37-44/1qmw.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 272.78}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.02, "temperature": 272.78 }, "water": "amber14/tip3pfb.xml" }
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12332 7859bf03-4377-47c3-83cc-3a2c71c422bf 2mqf 2025-01-27 01:36:24 2025-01-27 04:26:15 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mqf/5F2CsUDV/2025-01-27_01-36-22/2mqf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mqf/5F2CsUDV/2025-01-27_01-36-22/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mqf/5F2CsUDV/2025-01-27_01-36-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mqf/5F2CsUDV/2025-01-27_01-36-22/2mqf.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 388.15}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 388.15 }, "water": "amber14/tip3pfb.xml" }
 -1364.4717 2025-01-27 03:35:45 600 5 1500 1.000000 5
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12330 cc6ed5cc-7b2e-408f-b24e-609e815bd102 4b8y 2025-01-27 01:34:26 2025-01-27 04:26:17 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4b8y/5GKH9FPP/2025-01-27_01-34-25/4b8y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4b8y/5GKH9FPP/2025-01-27_01-34-25/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4b8y/5GKH9FPP/2025-01-27_01-34-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4b8y/5GKH9FPP/2025-01-27_01-34-25/4b8y.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 373.13}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 373.13 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fu8/5F4tQyWr/2025-01-27_01-30-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3fu8/5F4tQyWr/2025-01-27_01-30-39/3fu8.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/opc.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 362.37}}
{ "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.08, "temperature": 362.37 }, "water": "amber14/opc.xml" }
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12327 c3ad1838-4202-47ed-8f8f-9e60aeac68ac 1vbw 2025-01-27 01:26:15 2025-01-27 03:27:52 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vbw/5FFApaS7/2025-01-27_01-26-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vbw/5FFApaS7/2025-01-27_01-26-14/1vbw.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 242.25}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 242.25 }, "water": "amber14/tip3pfb.xml" }
 -6300.5840 2025-01-27 02:37:55 600 5 1500 1.000000 5
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12326 67e0fc73-547e-4c21-9776-bd560238416f 3ba0 2025-01-27 01:25:27 2025-01-27 06:53:04 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ba0/5HEo565W/2025-01-27_01-25-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ba0/5HEo565W/2025-01-27_01-25-26/3ba0.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 382.32}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 382.32 }, "water": "charmm36/water.xml" }
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12325 14dd4d9a-555e-4498-b0fb-0f51a6f94e41 1vxe 2025-01-27 01:22:50 2025-01-27 04:21:27 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vxe/5GKH9FPP/2025-01-27_01-22-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vxe/5GKH9FPP/2025-01-27_01-22-48/1vxe.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 360.3}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 360.3 }, "water": "charmm36/water.xml" }
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12324 f5521b1b-f3fd-4bf7-81aa-d0c006decae4 1qri 2025-01-27 01:21:36 2025-01-27 03:26:34 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qri/5FFApaS7/2025-01-27_01-21-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qri/5FFApaS7/2025-01-27_01-21-35/1qri.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 262.28}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 262.28 }, "water": "amber14/tip3pfb.xml" }
 -35286.2695 2025-01-27 02:36:39 600 5 1500 1.000000 5
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12322 55792580-5172-4d7d-8500-2bdfddda0b3b 6d93 2025-01-27 01:15:31 2025-01-27 04:08:29 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d93/5HYk8DMK/2025-01-27_01-15-30/6d93.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d93/5HYk8DMK/2025-01-27_01-15-30/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d93/5HYk8DMK/2025-01-27_01-15-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d93/5HYk8DMK/2025-01-27_01-15-30/6d93.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 354.76}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 354.76 }, "water": "amber14/tip3pfb.xml" }
 -2978.0403 2025-01-27 02:50:27 600 5 1500 1.000000 5
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12321 f458c639-6b81-4129-933d-f8c64edcd83a 2mvh 2025-01-27 01:14:52 2025-01-27 06:44:51 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mvh/5HEo565W/2025-01-27_01-14-51/2mvh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mvh/5HEo565W/2025-01-27_01-14-51/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mvh/5HEo565W/2025-01-27_01-14-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mvh/5HEo565W/2025-01-27_01-14-51/2mvh.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/tip3p.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 205.86}}
{ "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.91, "temperature": 205.86 }, "water": "amber14/tip3p.xml" }
 -2452.1206 2025-01-27 04:49:35 600 5 1500 1.000000 5
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12320 171264ef-1155-480d-8c0b-e415bbcfcde9 8uel 2025-01-27 01:14:15 2025-01-27 06:21:07 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uel/5HEo565W/2025-01-27_01-14-15/8uel.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uel/5HEo565W/2025-01-27_01-14-15/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uel/5HEo565W/2025-01-27_01-14-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uel/5HEo565W/2025-01-27_01-14-15/8uel.pdb" }
{'ff': 'amber14/protein.ff14SB.xml', 'box': 'dodecahedron', 'water': 'amber14/tip4pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 263.79}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff14SB.xml", "system_kwargs": { "friction": 0.93, "temperature": 263.79 }, "water": "amber14/tip4pfb.xml" }
 -75645.0859 2025-01-27 04:48:35 600 5 1500 1.000000 5
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12318 c26c25b0-e2fa-44fb-9689-cb1d7ac61a88 2lo2 2025-01-27 01:09:13 2025-01-27 04:07:28 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lo2/5HYk8DMK/2025-01-27_01-09-12/2lo2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lo2/5HYk8DMK/2025-01-27_01-09-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lo2/5HYk8DMK/2025-01-27_01-09-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lo2/5HYk8DMK/2025-01-27_01-09-12/2lo2.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 244.49}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 244.49 }, "water": "charmm36/water.xml" }
 -6022.5669 2025-01-27 02:49:03 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5GhHYpa2/2025-01-27_04-07-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5HYVRNRE/2025-01-27_04-07-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5Hh4RLJA/2025-01-27_04-07-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5DS3joaF/2025-01-27_04-07-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5GR4rEwj/2025-01-27_04-07-38/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5C5mW9ze/2025-01-27_04-07-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5GjSmYTj/2025-01-27_04-07-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5HGuQx5w/2025-01-27_04-07-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5Fn13c2T/2025-01-27_04-07-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lo2/5HYk8DMK/5DU7YwrR/2025-01-27_04-07-39/md_0_1_old.cpt" ]
12316 ee1e019c-38ae-41f9-b0fe-50a284f85348 2me0 2025-01-27 01:01:06 2025-01-27 03:34:52 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2me0/5F2CsUDV/2025-01-27_01-01-04/2me0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2me0/5F2CsUDV/2025-01-27_01-01-04/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2me0/5F2CsUDV/2025-01-27_01-01-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2me0/5F2CsUDV/2025-01-27_01-01-04/2me0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 200.48}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 200.48 }, "water": "amber14/tip3pfb.xml" }
 -5940.8232 2025-01-27 02:31:36 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5DAAjjm6/2025-01-27_03-35-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5CarftSX/2025-01-27_03-35-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5Eh1ZgyG/2025-01-27_03-35-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5CRrGY7J/2025-01-27_03-35-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5DhhnQF1/2025-01-27_03-35-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5HN4zGAv/2025-01-27_03-35-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5GNeDT2Z/2025-01-27_03-35-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5EEy7nWM/2025-01-27_03-35-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5Cd59oQs/2025-01-27_03-35-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2me0/5F2CsUDV/5EycN1NE/2025-01-27_03-35-11/md_0_1.cpt" ]
12315 c72a58b1-5430-4c98-a298-c4139ad79a0f 2tli 2025-01-27 01:00:38 2025-01-27 03:08:24 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2tli/5FFApaS7/2025-01-27_01-00-37/2tli.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2tli/5FFApaS7/2025-01-27_01-00-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2tli/5FFApaS7/2025-01-27_01-00-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2tli/5FFApaS7/2025-01-27_01-00-37/2tli.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 350.5}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 350.5 }, "water": "amber14/tip3pfb.xml" }
 -19258.4844 2025-01-27 02:10:05 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5Hh4RLJA/2025-01-27_03-08-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5DaVVLYY/2025-01-27_03-08-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5Gx3DkGG/2025-01-27_03-08-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5ES6G8x2/2025-01-27_03-08-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5Cd59oQs/2025-01-27_03-08-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5Ec4Vqsh/2025-01-27_03-08-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5FZoGG7x/2025-01-27_03-08-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5DsnAEMX/2025-01-27_03-08-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5HZ1iqya/2025-01-27_03-08-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2tli/5FFApaS7/5G4kqfwh/2025-01-27_03-08-38/md_0_1.cpt" ]
Showing items 501 to 520 of 12833 entries