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
15533 8559e360-7a10-4a51-a320-17cab56e9aad 2bb5 2025-01-31 05:22:21 2025-01-31 08:01:07 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bb5/5Cg5QgjM/2025-01-31_05-22-19/2bb5.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bb5/5Cg5QgjM/2025-01-31_05-22-19/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bb5/5Cg5QgjM/2025-01-31_05-22-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2bb5/5Cg5QgjM/2025-01-31_05-22-19/2bb5.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 258.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 258.16 }, "water": "amber14/tip3pfb.xml" }
 -70696.5547 2025-01-31 07:16:56 600 6 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5CMEJjrh/2025-01-31_08-01-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5HTmcwCy/2025-01-31_08-01-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5Cfkokas/2025-01-31_08-01-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5Dc8cxYU/2025-01-31_08-01-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5DXvZ6kW/2025-01-31_08-01-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5DndzPQR/2025-01-31_08-01-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5D8JdLSr/2025-01-31_08-01-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5DhNncUE/2025-01-31_08-01-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5DX8y4qK/2025-01-31_08-01-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2bb5/5Cg5QgjM/5CV8vqhD/2025-01-31_08-01-14/md_0_1.cpt" ]
15532 e1ac8a8b-e90e-4566-a407-3692f86cd2aa 1smw 2025-01-31 05:20:53 2025-01-31 07:06:58 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1smw/5HYk8DMK/2025-01-31_05-20-50/1smw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1smw/5HYk8DMK/2025-01-31_05-20-50/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1smw/5HYk8DMK/2025-01-31_05-20-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1smw/5HYk8DMK/2025-01-31_05-20-50/1smw.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 300.7}}
{ "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.95, "temperature": 300.7 }, "water": "amber14/spce.xml" }
 -4285.6230 2025-01-31 06:27:33 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5Dka3Vh6/2025-01-31_07-07-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5ES6G8x2/2025-01-31_07-07-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5HTmcwCy/2025-01-31_07-07-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5GGb3rhZ/2025-01-31_07-07-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5Fs8ex9e/2025-01-31_07-07-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5HGrqUKc/2025-01-31_07-07-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5C7LuavG/2025-01-31_07-07-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5DP14rou/2025-01-31_07-07-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5Cfkokas/2025-01-31_07-07-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1smw/5HYk8DMK/5HKMcnD5/2025-01-31_07-07-13/md_0_1_old.cpt']
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15531 bb2170d7-a339-478d-81cd-148b0d9e9edd 6ez4 2025-01-31 05:15:48 2025-01-31 07:47:00 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6ez4/5GKH9FPP/2025-01-31_05-15-47/6ez4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6ez4/5GKH9FPP/2025-01-31_05-15-47/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6ez4/5GKH9FPP/2025-01-31_05-15-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6ez4/5GKH9FPP/2025-01-31_05-15-47/6ez4.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 258.84}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 258.84 }, "water": "charmm36/water.xml" }
 -8110.6855 2025-01-31 06:23:28 600 5 1500 1.000000 5
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15530 eb2fe1f9-7504-438c-a7e7-5168e55c7e7b 6sv6 2025-01-31 05:15:10 2025-01-31 07:05:35 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sv6/5HYk8DMK/2025-01-31_05-15-07/6sv6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sv6/5HYk8DMK/2025-01-31_05-15-07/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sv6/5HYk8DMK/2025-01-31_05-15-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sv6/5HYk8DMK/2025-01-31_05-15-07/6sv6.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 391.39}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 391.39 }, "water": "amber14/tip3pfb.xml" }
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15528 b2601da3-ff8d-40f7-9356-1f4cd7719ecd 2qfq 2025-01-31 05:14:56 2025-01-31 07:33:37 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qfq/5Cg5QgjM/2025-01-31_05-14-54/2qfq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qfq/5Cg5QgjM/2025-01-31_05-14-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qfq/5Cg5QgjM/2025-01-31_05-14-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2qfq/5Cg5QgjM/2025-01-31_05-14-54/2qfq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 360.39}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 360.39 }, "water": "amber14/tip3pfb.xml" }
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15527 34877aae-39dd-4b52-862e-0d9a60502030 4y21 2025-01-31 05:13:06 2025-01-31 07:41:39 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4y21/5GKH9FPP/2025-01-31_05-13-04/4y21.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4y21/5GKH9FPP/2025-01-31_05-13-04/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4y21/5GKH9FPP/2025-01-31_05-13-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4y21/5GKH9FPP/2025-01-31_05-13-04/4y21.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 272.91}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 272.91 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5GKH9FPP/2025-01-31_05-10-58/2nv3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5GKH9FPP/2025-01-31_05-10-58/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5GKH9FPP/2025-01-31_05-10-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5GKH9FPP/2025-01-31_05-10-58/2nv3.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 216.99}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 216.99 }, "water": "amber14/tip3pfb.xml" }
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15525 8b434df0-4a3a-480b-9e5d-bb39ca14d246 2r5q 2025-01-31 05:10:33 2025-01-31 06:58:30 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2r5q/5CzFiYvB/2025-01-31_05-10-32/2r5q.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2r5q/5CzFiYvB/2025-01-31_05-10-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2r5q/5CzFiYvB/2025-01-31_05-10-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2r5q/5CzFiYvB/2025-01-31_05-10-32/2r5q.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 248.34}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 248.34 }, "water": "charmm36/water.xml" }
 -13188.3545 2025-01-31 05:56:51 600 5 1500 1.000000 5
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15524 f4030930-8e37-4e46-acad-5d0c76282121 1esj 2025-01-31 05:09:19 2025-01-31 07:36:35 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esj/5GKH9FPP/2025-01-31_05-08-01/1esj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esj/5GKH9FPP/2025-01-31_05-08-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esj/5GKH9FPP/2025-01-31_05-08-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esj/5GKH9FPP/2025-01-31_05-08-01/1esj.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 338.1}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 338.1 }, "water": "amber14/tip3pfb.xml" }
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15523 88a47f33-d714-4c41-b165-15a9b36aa904 3v77 2025-01-31 05:05:13 2025-01-31 07:01:46 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v77/5F2CsUDV/2025-01-31_05-05-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v77/5F2CsUDV/2025-01-31_05-05-10/3v77.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 391.41}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.06, "temperature": 391.41 }, "water": "amber14/spce.xml" }
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15522 2c91cc59-94a2-4458-bcba-dfa9dcf184e2 6szf 2025-01-31 05:00:05 2025-01-31 07:42:03 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6szf/5FFApaS7/2025-01-31_05-00-04/6szf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6szf/5FFApaS7/2025-01-31_05-00-04/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6szf/5FFApaS7/2025-01-31_05-00-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6szf/5FFApaS7/2025-01-31_05-00-04/6szf.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 337.55}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 337.55 }, "water": "amber14/tip3pfb.xml" }
 -2175.6113 2025-01-31 06:24:52 600 5 1500 1.000000 5
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15519 43637c9f-ac7b-4650-bb9f-09b58ab0ffeb 2l8d 2025-01-31 04:49:21 2025-01-31 07:09:46 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8d/5Cg5QgjM/2025-01-31_04-49-20/2l8d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8d/5Cg5QgjM/2025-01-31_04-49-20/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8d/5Cg5QgjM/2025-01-31_04-49-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8d/5Cg5QgjM/2025-01-31_04-49-20/2l8d.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 273.8}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 273.8 }, "water": "amber14/tip3pfb.xml" }
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15518 647b6b90-9e77-4c54-baa9-10cbe16e7536 1uw0 2025-01-31 04:48:15 2025-01-31 07:09:15 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uw0/5Cg5QgjM/2025-01-31_04-48-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uw0/5Cg5QgjM/2025-01-31_04-48-13/1uw0.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 294.25}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 294.25 }, "water": "charmm36/water.xml" }
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15517 0e0bdd34-1d4c-436b-9f6b-9fe7774c66bf 2eec 2025-01-31 04:47:39 2025-01-31 06:42:46 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eec/5HYk8DMK/2025-01-31_04-47-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eec/5HYk8DMK/2025-01-31_04-47-37/2eec.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 320.01}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 320.01 }, "water": "amber14/tip3pfb.xml" }
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15487 4b56a6c2-1b84-4d0b-8f72-a54877368495 1xw3 2025-01-31 04:39:19 2025-01-31 07:08:56 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xw3/5F4tQyWr/2025-01-31_04-39-18/1xw3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xw3/5F4tQyWr/2025-01-31_04-39-18/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xw3/5F4tQyWr/2025-01-31_04-39-18/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xw3/5F4tQyWr/2025-01-31_04-39-18/1xw3.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 344.79}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 344.79 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fmg/5F2CsUDV/2025-01-31_04-38-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fmg/5F2CsUDV/2025-01-31_04-38-59/1fmg.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 335.69}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 335.69 }, "water": "amber14/tip3pfb.xml" }
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15515 5f234731-c8cc-45b3-b8e1-bf2e7123ded0 2eot 2025-01-31 04:38:52 2025-01-31 06:28:16 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eot/5F2CsUDV/2025-01-31_04-38-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eot/5F2CsUDV/2025-01-31_04-38-50/2eot.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 236.12}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.05, "temperature": 236.12 }, "water": "amber14/spce.xml" }
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15514 ddb360d7-a4e8-4b65-85c5-8ace3205cf96 4h9h 2025-01-31 04:37:52 2025-01-31 07:58:51 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4h9h/5HEo565W/2025-01-31_04-37-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4h9h/5HEo565W/2025-01-31_04-37-51/4h9h.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 345.35}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 345.35 }, "water": "amber14/tip3pfb.xml" }
 -11768.9219 2025-01-31 06:41:57 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5Gxq2tRq/2025-01-31_07-58-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5DaVVLYY/2025-01-31_07-58-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5EcFV1Tp/2025-01-31_07-58-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5FTzckmn/2025-01-31_07-58-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5GeFCh4z/2025-01-31_07-58-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5ESAZwTf/2025-01-31_07-58-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5GutyMJ2/2025-01-31_07-58-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5CHpNaFM/2025-01-31_07-58-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5GGb3rhZ/2025-01-31_07-58-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h9h/5HEo565W/5DPprcfa/2025-01-31_07-58-57/md_0_1_old.cpt" ]
15513 be51c103-36c0-4b22-8a81-95de006e35a4 3ip0 2025-01-31 04:37:21 2025-01-31 06:27:32 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ip0/5F2CsUDV/2025-01-31_04-37-18/3ip0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ip0/5F2CsUDV/2025-01-31_04-37-18/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ip0/5F2CsUDV/2025-01-31_04-37-18/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ip0/5F2CsUDV/2025-01-31_04-37-18/3ip0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 249.72}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 249.72 }, "water": "amber14/tip3pfb.xml" }
 -16424.3555 2025-01-31 05:23:58 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5D4kFUfn/2025-01-31_06-27-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5FKxjBGc/2025-01-31_06-27-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5EsK8GE1/2025-01-31_06-27-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5F9nfJQE/2025-01-31_06-27-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5DXXiX9i/2025-01-31_06-27-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5GjSmYTj/2025-01-31_06-27-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5GBxk4YT/2025-01-31_06-27-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5C5BrEUX/2025-01-31_06-27-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5CMEJjrh/2025-01-31_06-27-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ip0/5F2CsUDV/5GehSP5B/2025-01-31_06-27-48/md_0_1_old.cpt" ]
15511 e7264c65-3475-44cf-b67f-38aa262b49ad 6fr9 2025-01-31 04:36:09 2025-01-31 06:53:06 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fr9/5F2CsUDV/2025-01-31_04-36-07/6fr9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fr9/5F2CsUDV/2025-01-31_04-36-07/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fr9/5F2CsUDV/2025-01-31_04-36-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fr9/5F2CsUDV/2025-01-31_04-36-07/6fr9.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 223.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 223.16 }, "water": "amber14/tip3pfb.xml" }
 -43454.4805 2025-01-31 06:04:01 600 6 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5HR74jwT/2025-01-31_06-53-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5FNEiDZG/2025-01-31_06-53-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5GhHYpa2/2025-01-31_06-53-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5H1PLX45/2025-01-31_06-53-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5DJ6gt2p/2025-01-31_06-53-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5CD6SYMs/2025-01-31_06-53-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5DhhnQF1/2025-01-31_06-53-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5FkBB721/2025-01-31_06-53-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5G9iNxym/2025-01-31_06-53-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fr9/5F2CsUDV/5DcKLuwD/2025-01-31_06-53-17/md_0_1.cpt" ]
Showing items 1281 to 1300 of 16807 entries