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
15507 df43b717-0200-4357-806d-c99d6ad1db36 1esr 2025-01-31 05:28:27 2025-01-31 07:30:55 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esr/5F4tQyWr/2025-01-31_05-28-26/1esr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esr/5F4tQyWr/2025-01-31_05-28-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esr/5F4tQyWr/2025-01-31_05-28-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1esr/5F4tQyWr/2025-01-31_05-28-26/1esr.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 322.92}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 322.92 }, "water": "charmm36/water.xml" }
 -5708.0679 2025-01-31 06:26:51 600 5 1500 1.000000 5
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15505 bc8aca7f-ec00-451b-b6b4-44c6bcb37fc6 1awu 2025-01-31 05:28:16 2025-01-31 07:27:30 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1awu/5F4tQyWr/2025-01-31_05-28-15/1awu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1awu/5F4tQyWr/2025-01-31_05-28-15/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1awu/5F4tQyWr/2025-01-31_05-28-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1awu/5F4tQyWr/2025-01-31_05-28-15/1awu.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 205.84}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 205.84 }, "water": "amber14/tip3pfb.xml" }
 -15523.5195 2025-01-31 06:23:25 600 5 1500 1.000000 5
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15538 b57ba037-c7a1-44a0-9162-1eebad37e1d3 3m28 2025-01-31 05:25:57 2025-01-31 07:39:46 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m28/5Cg5QgjM/2025-01-31_05-25-54/3m28.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m28/5Cg5QgjM/2025-01-31_05-25-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m28/5Cg5QgjM/2025-01-31_05-25-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m28/5Cg5QgjM/2025-01-31_05-25-54/3m28.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 264.94}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 264.94 }, "water": "amber14/tip3pfb.xml" }
 -24874.9766 2025-01-31 06:33:15 600 5 1500 1.000000 5
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15537 78c2d3bc-bf9b-4559-8735-dcfb2b11e2aa 2rm6 2025-01-31 05:24:05 2025-01-31 07:15:27 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm6/5CzFiYvB/2025-01-31_05-24-03/2rm6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm6/5CzFiYvB/2025-01-31_05-24-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm6/5CzFiYvB/2025-01-31_05-24-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm6/5CzFiYvB/2025-01-31_05-24-03/2rm6.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 358.63}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 358.63 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm6/5CzFiYvB/5F1boa8C/2025-01-31_07-15-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm6/5CzFiYvB/5C8aeZq1/2025-01-31_07-15-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm6/5CzFiYvB/5Dka3Vh6/2025-01-31_07-15-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm6/5CzFiYvB/5Gx3DkGG/2025-01-31_07-15-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm6/5CzFiYvB/5EEy7nWM/2025-01-31_07-15-34/md_0_1.cpt" ]
15536 bb74e79b-e426-4c21-a142-49852fef5c7f 7tln 2025-01-31 05:23:20 2025-01-31 07:14:48 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7tln/5CzFiYvB/2025-01-31_05-23-18/7tln.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7tln/5CzFiYvB/2025-01-31_05-23-18/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7tln/5CzFiYvB/2025-01-31_05-23-18/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7tln/5CzFiYvB/2025-01-31_05-23-18/7tln.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 295.62}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 295.62 }, "water": "charmm36/water.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tln/5CzFiYvB/5HYficC7/2025-01-31_07-14-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tln/5CzFiYvB/5Cfkokas/2025-01-31_07-14-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tln/5CzFiYvB/5DhNncUE/2025-01-31_07-14-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tln/5CzFiYvB/5GGb3rhZ/2025-01-31_07-14-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7tln/5CzFiYvB/5DkvT79z/2025-01-31_07-14-54/md_0_1.cpt" ]
15535 3aae187d-f51d-46ff-ac2f-759b1c93bfc7 2m7e 2025-01-31 05:22:54 2025-01-31 07:11:31 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m7e/5HYk8DMK/2025-01-31_05-22-53/2m7e.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m7e/5HYk8DMK/2025-01-31_05-22-53/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m7e/5HYk8DMK/2025-01-31_05-22-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m7e/5HYk8DMK/2025-01-31_05-22-53/2m7e.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 388.19}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 388.19 }, "water": "charmm36/water.xml" }
 -1753.4808 2025-01-31 06:20:09 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5GehSP5B/2025-01-31_07-11-36/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5Gdn7dSR/2025-01-31_07-11-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5D8JdLSr/2025-01-31_07-11-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5G9vwUF5/2025-01-31_07-11-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5EsK8GE1/2025-01-31_07-11-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5FeeZzWZ/2025-01-31_07-11-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5GjSmYTj/2025-01-31_07-11-45/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5HYCRBVh/2025-01-31_07-11-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5HQV4JrB/2025-01-31_07-11-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m7e/5HYk8DMK/5Ew6RyYq/2025-01-31_07-11-48/md_0_1.cpt" ]
15534 3bc97f00-e6bf-4c7d-a263-a6ded2e92af8 2ms2 2025-01-31 05:22:24 2025-01-31 07:00:57 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ms2/5CzFiYvB/2025-01-31_05-22-22/2ms2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ms2/5CzFiYvB/2025-01-31_05-22-22/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ms2/5CzFiYvB/2025-01-31_05-22-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ms2/5CzFiYvB/2025-01-31_05-22-22/2ms2.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 223.28}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 223.28 }, "water": "charmm36/water.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ms2/5CzFiYvB/5DXiys3z/2025-01-31_07-01-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ms2/5CzFiYvB/5FeeZzWZ/2025-01-31_07-01-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ms2/5CzFiYvB/5DUBJXqH/2025-01-31_07-01-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ms2/5CzFiYvB/5CMEJjrh/2025-01-31_07-01-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ms2/5CzFiYvB/5EcFV1Tp/2025-01-31_07-01-10/md_0_1.cpt" ]
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" }
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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
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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" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5E4Sun3n/2025-01-31_07-47-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5Cd59oQs/2025-01-31_07-47-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5GrmnoWJ/2025-01-31_07-47-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5GbtQBrz/2025-01-31_07-47-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5EycN1NE/2025-01-31_07-47-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5FZEixsS/2025-01-31_07-47-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5EhxUCpu/2025-01-31_07-47-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5FF48AEJ/2025-01-31_07-47-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5GxjqYXt/2025-01-31_07-47-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6ez4/5GKH9FPP/5ES6G8x2/2025-01-31_07-47-12/md_0_1.cpt" ]
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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" }
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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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{ "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" }
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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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{ "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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Showing items 1301 to 1320 of 16834 entries