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
16907 c0dfb4f3-3edb-4150-bdce-a9b94c57f27d 6emp 2025-02-02 00:41:16 2025-02-02 02:55:30 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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[ "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6emp/5GKH9FPP/2025-02-02_00-41-14/6emp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6emp/5GKH9FPP/2025-02-02_00-41-14/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6emp/5GKH9FPP/2025-02-02_00-41-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6emp/5GKH9FPP/2025-02-02_00-41-14/6emp.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 317.37}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 317.37 }, "water": "amber14/tip3pfb.xml" }
 -13287.8203 2025-02-02 01:42:07 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5HN4zGAv/2025-02-02_02-55-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5CSqSvkr/2025-02-02_02-55-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5GjSmYTj/2025-02-02_02-55-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5FKYxVkM/2025-02-02_02-55-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5Dc8cxYU/2025-02-02_02-55-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5FjT2qPt/2025-02-02_02-55-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5FZEixsS/2025-02-02_02-55-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5Gbc1Dzo/2025-02-02_02-55-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5Fs8ex9e/2025-02-02_02-55-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5HNjFXXT/2025-02-02_02-55-41/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5HN4zGAv/2025-02-02_02-55-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5CSqSvkr/2025-02-02_02-55-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5GjSmYTj/2025-02-02_02-55-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5FKYxVkM/2025-02-02_02-55-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5Dc8cxYU/2025-02-02_02-55-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5FjT2qPt/2025-02-02_02-55-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5FZEixsS/2025-02-02_02-55-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5Gbc1Dzo/2025-02-02_02-55-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5Fs8ex9e/2025-02-02_02-55-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6emp/5GKH9FPP/5HNjFXXT/2025-02-02_02-55-41/md_0_1.cpt" ]
16906 74bd9844-2345-4ef3-9518-9f8e1b5e4eee 3v5k 2025-02-02 00:39:09 2025-02-02 02:54:12 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v5k/5GKH9FPP/2025-02-02_00-34-29/3v5k.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v5k/5GKH9FPP/2025-02-02_00-34-29/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v5k/5GKH9FPP/2025-02-02_00-34-29/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v5k/5GKH9FPP/2025-02-02_00-34-29/3v5k.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 265.29}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 265.29 }, "water": "amber14/tip3pfb.xml" }
 -82437.9531 2025-02-02 01:41:11 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5HdtUhXT/2025-02-02_02-54-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5DAAjjm6/2025-02-02_02-54-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5HbmGqZk/2025-02-02_02-54-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5DPprcfa/2025-02-02_02-54-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5HmPbPUa/2025-02-02_02-54-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5DyitGMU/2025-02-02_02-54-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5CMHnFiW/2025-02-02_02-54-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5FkBB721/2025-02-02_02-54-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5C5mW9ze/2025-02-02_02-54-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v5k/5GKH9FPP/5EcDLbvR/2025-02-02_02-54-39/md_0_1_old.cpt']
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16905 ea644e7b-d580-42c4-b2c3-282e10fd46ae 1f62 2025-02-02 00:38:39 2025-02-02 05:24:35 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f62/5HEo565W/2025-02-02_00-38-39/1f62.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f62/5HEo565W/2025-02-02_00-38-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f62/5HEo565W/2025-02-02_00-38-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f62/5HEo565W/2025-02-02_00-38-39/1f62.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 247.39}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.1, "temperature": 247.39 }, "water": "charmm36/water.xml" }
 -4787.7534 2025-02-02 02:48:51 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5HeMZXU8/2025-02-02_05-24-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5EaCbdDs/2025-02-02_05-24-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5CAz8emp/2025-02-02_05-24-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5G27Crdi/2025-02-02_05-24-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5Hh4RLJA/2025-02-02_05-24-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5CiGhHrn/2025-02-02_05-24-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5EcntL3e/2025-02-02_05-24-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5E2VPvK2/2025-02-02_05-24-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5CaPMXwr/2025-02-02_05-24-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1f62/5HEo565W/5CATsG1V/2025-02-02_05-24-49/md_0_1.cpt']
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16904 b2395870-e750-434b-b331-3a5fa2a7a366 1oqq 2025-02-02 00:37:39 2025-02-02 02:26:41 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 317.86}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 317.86 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 242.68}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 242.68 }, "water": "charmm36/water.xml" }
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16901 c3cd26a5-31e7-4db9-8239-db4024eca0f2 2aiy 2025-02-02 00:30:12 2025-02-02 05:19:01 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 328.27}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 328.27 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dku/5FFApaS7/2025-02-02_00-27-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dku/5FFApaS7/2025-02-02_00-27-40/2dku.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 296.38}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.94, "temperature": 296.38 }, "water": "charmm36/water.xml" }
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16898 5cdf84d5-4b3b-45fc-a98d-087cfc59c3f2 1zvl 2025-02-02 00:23:42 2025-02-02 03:28:28 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zvl/5Cg5QgjM/2025-02-02_00-23-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zvl/5Cg5QgjM/2025-02-02_00-23-40/1zvl.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 205.55}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.9, "temperature": 205.55 }, "water": "charmm36/water.xml" }
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16853 7bd6a8d8-edec-406e-948e-ff6e185403a1 224d 2025-02-02 00:22:46 2025-02-02 01:52:32 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/224d/5F4tQyWr/2025-02-02_00-22-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/224d/5F4tQyWr/2025-02-02_00-22-45/224d.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 344.76}}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 295.17}}
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 234.1}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 234.1 }, "water": "charmm36/water.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 380.26}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 380.26 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/opc3.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 214.84}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.03, "temperature": 214.84 }, "water": "amber14/opc3.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 204.29}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 204.29 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 337.43}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 337.43 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 243.91}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 243.91 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 279.97}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 279.97 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a11/5CzFiYvB/2025-02-02_00-06-52/1a11.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a11/5CzFiYvB/2025-02-02_00-06-52/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a11/5CzFiYvB/2025-02-02_00-06-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a11/5CzFiYvB/2025-02-02_00-06-52/1a11.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 304.18}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.9, "temperature": 304.18 }, "water": "charmm36/water.xml" }
 -678.6075 2025-02-02 01:03:16 600 8 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5FBis2fY/2025-02-02_01-38-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5HEBtdd3/2025-02-02_01-38-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5CSqSvkr/2025-02-02_01-38-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5CMEJjrh/2025-02-02_01-38-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5E9rJadE/2025-02-02_01-38-12/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5FBis2fY/2025-02-02_01-38-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5HEBtdd3/2025-02-02_01-38-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5CSqSvkr/2025-02-02_01-38-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5CMEJjrh/2025-02-02_01-38-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1a11/5CzFiYvB/5E9rJadE/2025-02-02_01-38-12/md_0_1.cpt" ]
16886 bd91815b-196b-4956-8dd7-a105c9150bba 1fkk 2025-02-02 00:06:38 2025-02-02 04:06:30 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fkk/5F2CsUDV/2025-02-02_00-06-36/1fkk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fkk/5F2CsUDV/2025-02-02_00-06-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fkk/5F2CsUDV/2025-02-02_00-06-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fkk/5F2CsUDV/2025-02-02_00-06-36/1fkk.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 229.41}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 229.41 }, "water": "amber14/tip3pfb.xml" }
 -10872.6885 2025-02-02 02:33:01 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5GhHYpa2/2025-02-02_04-06-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5EjRpczo/2025-02-02_04-06-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5HEBtdd3/2025-02-02_04-06-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5EyWAbu3/2025-02-02_04-06-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5CD6SYMs/2025-02-02_04-06-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5C5mW9ze/2025-02-02_04-06-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5Gx3DkGG/2025-02-02_04-06-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5HmPbPUa/2025-02-02_04-06-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5EsKXx7M/2025-02-02_04-06-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fkk/5F2CsUDV/5FPK4CeE/2025-02-02_04-06-51/md_0_1.cpt" ]
Showing items 2501 to 2520 of 19399 entries