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
16994 dde58b90-4406-4fed-8b5b-fa135f578d0a 1qnr 2025-02-02 03:18:55 2025-02-02 06:00:03 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qnr/5HYk8DMK/2025-02-02_03-18-54/1qnr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qnr/5HYk8DMK/2025-02-02_03-18-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qnr/5HYk8DMK/2025-02-02_03-18-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qnr/5HYk8DMK/2025-02-02_03-18-54/1qnr.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 249.19}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 249.19 }, "water": "charmm36/water.xml" }
 -3179.4734 2025-02-02 04:44:22 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5HU3t5Nc/2025-02-02_06-00-08/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5HN5q9Fa/2025-02-02_06-00-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5GutyMJ2/2025-02-02_06-00-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5GsSM359/2025-02-02_06-00-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5EEwj36U/2025-02-02_06-00-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5HdfzvTF/2025-02-02_06-00-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5HpDuDJb/2025-02-02_06-00-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5EsK8GE1/2025-02-02_06-00-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5G4kqfwh/2025-02-02_06-00-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qnr/5HYk8DMK/5CD6SYMs/2025-02-02_06-00-16/md_0_1.cpt" ]
16993 23686472-4617-4781-86d4-4d3d98bebb28 2zp5 2025-02-02 03:16:48 2025-02-02 05:24:14 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zp5/5F2CsUDV/2025-02-02_03-16-46/2zp5.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zp5/5F2CsUDV/2025-02-02_03-16-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zp5/5F2CsUDV/2025-02-02_03-16-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2zp5/5F2CsUDV/2025-02-02_03-16-46/2zp5.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 391.68}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 391.68 }, "water": "charmm36/water.xml" }
 -4212.4014 2025-02-02 04:47:16 600 5 1500 1.000000 5
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16992 c5ccef5d-4bdf-4b69-b2df-77b947cd94f9 2pqe 2025-02-02 03:16:25 2025-02-02 05:25:08 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqe/5Cg5QgjM/2025-02-02_03-16-22/2pqe.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqe/5Cg5QgjM/2025-02-02_03-16-22/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqe/5Cg5QgjM/2025-02-02_03-16-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqe/5Cg5QgjM/2025-02-02_03-16-22/2pqe.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 345.6}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 345.6 }, "water": "charmm36/water.xml" }
 -6082.2017 2025-02-02 04:26:03 600 5 1500 1.000000 5
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16991 2fefcec5-af58-41b5-bcb3-23ca4696f505 1alf 2025-02-02 03:15:43 2025-02-02 06:04:59 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1alf/5FFApaS7/2025-02-02_03-15-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1alf/5FFApaS7/2025-02-02_03-15-42/1alf.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 224.96}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 224.96 }, "water": "amber14/tip3pfb.xml" }
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16990 2c7fd8e4-29b8-4169-a99a-d03d885cdbb4 3dl0 2025-02-02 03:14:49 2025-02-02 05:54:47 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dl0/5HYk8DMK/2025-02-02_03-14-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dl0/5HYk8DMK/2025-02-02_03-14-47/3dl0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 302.51}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 302.51 }, "water": "amber14/tip3pfb.xml" }
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16988 db66bb2f-69f7-4a82-9203-daca1acfef04 2csl 2025-02-02 03:05:33 2025-02-02 05:24:22 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2csl/5FFApaS7/2025-02-02_03-05-32/2csl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2csl/5FFApaS7/2025-02-02_03-05-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2csl/5FFApaS7/2025-02-02_03-05-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2csl/5FFApaS7/2025-02-02_03-05-32/2csl.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 207.76}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 207.76 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1try/5F4tQyWr/2025-02-02_03-03-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1try/5F4tQyWr/2025-02-02_03-03-15/1try.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 219.36}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 219.36 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a5r/5FFApaS7/2025-02-02_03-02-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a5r/5FFApaS7/2025-02-02_03-02-01/1a5r.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 210.85}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 210.85 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hbb/5F4tQyWr/2025-02-02_03-00-43/2hbb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hbb/5F4tQyWr/2025-02-02_03-00-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hbb/5F4tQyWr/2025-02-02_03-00-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hbb/5F4tQyWr/2025-02-02_03-00-43/2hbb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 341.71}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 341.71 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 270.78}}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 271.32}}
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j0r/5CzFiYvB/2025-02-02_02-57-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j0r/5CzFiYvB/2025-02-02_02-57-35/3j0r.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 219.04}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 219.04 }, "water": "charmm36/water.xml" }
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16983 510cc4bd-a52f-4735-a68d-32499e0c6c56 1bru 2025-02-02 02:57:25 2025-02-02 05:34:38 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bru/5GKH9FPP/2025-02-02_02-57-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bru/5GKH9FPP/2025-02-02_02-57-23/1bru.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 252.47}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 252.47 }, "water": "charmm36/water.xml" }
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16982 7ac90a01-eda6-473f-8050-2801e3728bc8 1jea 2025-02-02 02:57:21 2025-02-02 04:06:45 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jea/5CzFiYvB/2025-02-02_02-54-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jea/5CzFiYvB/2025-02-02_02-54-28/1jea.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 332.55}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 332.55 }, "water": "amber14/tip3pfb.xml" }
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16981 02006c34-e2b9-43ba-a518-598be14b6458 5aci 2025-02-02 02:54:44 2025-02-02 05:28:55 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5aci/5GKH9FPP/2025-02-02_02-54-40/5aci.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5aci/5GKH9FPP/2025-02-02_02-54-40/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5aci/5GKH9FPP/2025-02-02_02-54-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5aci/5GKH9FPP/2025-02-02_02-54-40/5aci.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 312.51}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 312.51 }, "water": "amber14/tip3pfb.xml" }
 -10909.2559 2025-02-02 04:26:43 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5GBzJfFq/2025-02-02_05-29-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5G9iNxym/2025-02-02_05-29-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5HjbTouu/2025-02-02_05-29-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5FdvaRoH/2025-02-02_05-29-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5E7u7wM5/2025-02-02_05-29-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5G4kqfwh/2025-02-02_05-29-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5DFWAKb5/2025-02-02_05-29-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5ELgovom/2025-02-02_05-29-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5FkBB721/2025-02-02_05-29-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5aci/5GKH9FPP/5FvepbgL/2025-02-02_05-29-05/md_0_1.cpt" ]
16947 241de4ce-e413-42d1-93e2-ef548b460419 2nvj 2025-02-02 02:44:31 2025-02-02 04:33:05 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nvj/5F4tQyWr/2025-02-02_02-44-30/2nvj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nvj/5F4tQyWr/2025-02-02_02-44-30/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nvj/5F4tQyWr/2025-02-02_02-44-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nvj/5F4tQyWr/2025-02-02_02-44-30/2nvj.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 333.8}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 333.8 }, "water": "amber14/tip3pfb.xml" }
 -1156.1906 2025-02-02 03:37:01 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5HpCxvH5/2025-02-02_04-33-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5EjRpczo/2025-02-02_04-33-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5GeFCh4z/2025-02-02_04-33-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5H5wXPTT/2025-02-02_04-33-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5ENVJyUM/2025-02-02_04-33-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5GrzLRi3/2025-02-02_04-33-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5ENZdoRq/2025-02-02_04-33-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5DkvT79z/2025-02-02_04-33-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5HTmcwCy/2025-02-02_04-33-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nvj/5F4tQyWr/5G4kqfwh/2025-02-02_04-33-15/md_0_1.cpt" ]
16946 e5b8a5ab-969b-40cf-b646-c6ad829cde69 1gea 2025-02-02 02:44:21 2025-02-02 04:32:29 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gea/5F4tQyWr/2025-02-02_02-44-20/1gea.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gea/5F4tQyWr/2025-02-02_02-44-20/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gea/5F4tQyWr/2025-02-02_02-44-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gea/5F4tQyWr/2025-02-02_02-44-20/1gea.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 282.11}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 282.11 }, "water": "charmm36/water.xml" }
 -2043.3558 2025-02-02 03:36:39 600 5 1500 1.000000 5
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16979 53551177-c1e0-4555-9319-f57b607eef6a 1pxc 2025-02-02 02:43:27 2025-02-02 06:41:41 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pxc/5HEo565W/2025-02-02_02-43-26/1pxc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pxc/5HEo565W/2025-02-02_02-43-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pxc/5HEo565W/2025-02-02_02-43-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pxc/5HEo565W/2025-02-02_02-43-26/1pxc.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 278.54}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 278.54 }, "water": "amber14/tip3pfb.xml" }
 -46692.9336 2025-02-02 05:08:20 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5DkvT79z/2025-02-02_06-41-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5Gxq2tRq/2025-02-02_06-41-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5EyWujpT/2025-02-02_06-41-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5GpsZaPf/2025-02-02_06-41-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5C8aeZq1/2025-02-02_06-41-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5Fn13c2T/2025-02-02_06-41-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5ESEfcCx/2025-02-02_06-41-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5CULginL/2025-02-02_06-41-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5FBis2fY/2025-02-02_06-41-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pxc/5HEo565W/5Fq4S7oK/2025-02-02_06-41-54/md_0_1_old.cpt" ]
16944 f655c8c0-b1c6-46d7-a42a-31ca6d48c711 5vj8 2025-02-02 02:42:49 2025-02-02 04:29:35 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5vj8/5F4tQyWr/2025-02-02_02-42-48/5vj8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5vj8/5F4tQyWr/2025-02-02_02-42-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5vj8/5F4tQyWr/2025-02-02_02-42-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5vj8/5F4tQyWr/2025-02-02_02-42-48/5vj8.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 205.15}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 205.15 }, "water": "amber14/tip3pfb.xml" }
 -16618.1133 2025-02-02 03:33:57 600 5 1500 1.000000 5
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Showing items 2601 to 2620 of 19591 entries