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
3866 016c1858-d965-49a9-a300-a55be52259f4 2anv 2025-01-15 23:45:29 2025-01-16 01:06:04 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2anv/5HYk8DMK/2025-01-15_23-45-28/2anv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2anv/5HYk8DMK/2025-01-15_23-45-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2anv/5HYk8DMK/2025-01-15_23-45-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2anv/5HYk8DMK/2025-01-15_23-45-28/2anv.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 253.15}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 253.15 }, "water": "amber14/tip3pfb.xml" }
 -31878.8965 2025-01-16 00:20:45 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5G6mzcBY/2025-01-16_01-06-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5DUBJXqH/2025-01-16_01-06-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5HW712Ei/2025-01-16_01-06-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5DhPQXgo/2025-01-16_01-06-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5C4xDki7/2025-01-16_01-06-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5GNeDT2Z/2025-01-16_01-06-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5DPprcfa/2025-01-16_01-06-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5FKxjBGc/2025-01-16_01-06-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2anv/5HYk8DMK/5GBzJfFq/2025-01-16_01-06-13/md_0_1_old.cpt" ]
3830 17a23af8-1d35-4ac4-ab7f-bebb57a758b8 4ayy 2025-01-15 23:40:07 2025-01-16 01:18:41 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ayy/5F4tQyWr/2025-01-15_23-40-06/4ayy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ayy/5F4tQyWr/2025-01-15_23-40-06/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ayy/5F4tQyWr/2025-01-15_23-40-06/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ayy/5F4tQyWr/2025-01-15_23-40-06/4ayy.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 314.85}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 314.85 }, "water": "charmm36/water.xml" }
 -25928.9785 2025-01-16 00:25:10 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5EkYTG9y/2025-01-16_01-18-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5HbgRnCL/2025-01-16_01-18-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5FBis2fY/2025-01-16_01-18-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5Gb5EGGA/2025-01-16_01-18-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5HU3t5Nc/2025-01-16_01-18-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5Dnu8Ats/2025-01-16_01-18-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5D4kFUfn/2025-01-16_01-18-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5HmiiHdA/2025-01-16_01-18-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5DRiwcLf/2025-01-16_01-18-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ayy/5F4tQyWr/5GjydE9D/2025-01-16_01-18-50/md_0_1.cpt']
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3864 fb8a1306-ffc6-4dfd-9ae8-3dc669ca4ccb 4os7 2025-01-15 23:38:16 2025-01-16 01:56:29 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4os7/5Cg5QgjM/2025-01-15_23-38-11/4os7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4os7/5Cg5QgjM/2025-01-15_23-38-11/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4os7/5Cg5QgjM/2025-01-15_23-38-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4os7/5Cg5QgjM/2025-01-15_23-38-11/4os7.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 266.93}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 266.93 }, "water": "charmm36/water.xml" }
 -16000.6279 2025-01-16 01:01:57 600 5 1500 1.000000 5
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3863 47f3e113-1903-4799-af21-05c2c9f9babf 1ad6 2025-01-15 23:38:06 2025-01-16 03:01:46 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ad6/5HEo565W/2025-01-15_23-38-05/1ad6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ad6/5HEo565W/2025-01-15_23-38-05/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ad6/5HEo565W/2025-01-15_23-38-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ad6/5HEo565W/2025-01-15_23-38-05/1ad6.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 328.92}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 328.92 }, "water": "amber14/tip3pfb.xml" }
 -17412.0391 2025-01-16 01:00:24 600 4 1500 1.000000 5
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpr/5GKH9FPP/2025-01-15_23-36-44/3kpr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpr/5GKH9FPP/2025-01-15_23-36-44/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpr/5GKH9FPP/2025-01-15_23-36-44/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpr/5GKH9FPP/2025-01-15_23-36-44/3kpr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 383.17}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 383.17 }, "water": "amber14/tip3pfb.xml" }
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3859 b62a5a20-93b7-4cfc-93ad-d1bd4bc585e4 3qaa 2025-01-15 23:34:47 2025-01-16 01:49:08 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qaa/5FFApaS7/2025-01-15_23-34-46/3qaa.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qaa/5FFApaS7/2025-01-15_23-34-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qaa/5FFApaS7/2025-01-15_23-34-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qaa/5FFApaS7/2025-01-15_23-34-46/3qaa.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 290.95}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 290.95 }, "water": "charmm36/water.xml" }
 -6484.4409 2025-01-16 00:34:32 600 5 1500 1.000000 5
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3858 03c4862f-43f9-4fcf-93d0-f2d48be64d6b 1kmr 2025-01-15 23:32:08 2025-01-16 00:49:58 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kmr/5HYk8DMK/2025-01-15_23-32-07/1kmr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kmr/5HYk8DMK/2025-01-15_23-32-07/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kmr/5HYk8DMK/2025-01-15_23-32-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kmr/5HYk8DMK/2025-01-15_23-32-07/1kmr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 380.85}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 380.85 }, "water": "amber14/tip3pfb.xml" }
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3857 61226675-90a3-45fa-ab62-b352e806ac59 8p0p 2025-01-15 23:31:50 2025-01-16 01:47:08 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p0p/5FFApaS7/2025-01-15_23-31-49/8p0p.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p0p/5FFApaS7/2025-01-15_23-31-49/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p0p/5FFApaS7/2025-01-15_23-31-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8p0p/5FFApaS7/2025-01-15_23-31-49/8p0p.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 284.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 284.16 }, "water": "amber14/tip3pfb.xml" }
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3856 9a6b4247-8e68-4c37-924f-10c799152656 3qte 2025-01-15 23:30:28 2025-01-16 01:15:56 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qte/5F2CsUDV/2025-01-15_23-30-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qte/5F2CsUDV/2025-01-15_23-30-25/3qte.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 269.46}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 269.46 }, "water": "amber14/tip3pfb.xml" }
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3855 df63f1f9-9b1e-4400-b95a-5e8b771bb6fa 1gvp 2025-01-15 23:30:26 2025-01-16 01:31:37 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gvp/5GKH9FPP/2025-01-15_23-30-24/1gvp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gvp/5GKH9FPP/2025-01-15_23-30-24/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gvp/5GKH9FPP/2025-01-15_23-30-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gvp/5GKH9FPP/2025-01-15_23-30-24/1gvp.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 263.73}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 263.73 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 279.48}}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 335.45}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 335.45 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 250.66}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 250.66 }, "water": "amber14/tip3pfb.xml" }
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3813 d25d7b01-81ef-41bb-a87a-2a13c45f72d8 4xnb 2025-01-15 23:16:21 2025-01-16 01:03:45 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xnb/5F4tQyWr/2025-01-15_23-16-19/4xnb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xnb/5F4tQyWr/2025-01-15_23-16-19/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xnb/5F4tQyWr/2025-01-15_23-16-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xnb/5F4tQyWr/2025-01-15_23-16-19/4xnb.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 329.18}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 329.18 }, "water": "charmm36/water.xml" }
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3851 7365a189-c7c4-4d2e-8232-6c4421c184dc 7r65 2025-01-15 23:14:49 2025-01-16 01:08:16 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7r65/5GKH9FPP/2025-01-15_23-14-43/7r65.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7r65/5GKH9FPP/2025-01-15_23-14-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7r65/5GKH9FPP/2025-01-15_23-14-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7r65/5GKH9FPP/2025-01-15_23-14-43/7r65.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 355.88}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 355.88 }, "water": "charmm36/water.xml" }
 -47596.5742 2025-01-16 00:40:10 600 5 1500 1.000000 5
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3850 137c775d-0fc4-4b6a-a24a-5dc59f5fbeb9 5ty3 2025-01-15 23:14:35 2025-01-16 01:01:18 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ty3/5F2CsUDV/2025-01-15_23-14-32/5ty3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ty3/5F2CsUDV/2025-01-15_23-14-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ty3/5F2CsUDV/2025-01-15_23-14-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ty3/5F2CsUDV/2025-01-15_23-14-32/5ty3.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 311.23}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 311.23 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gf0/5FFApaS7/2025-01-15_23-09-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gf0/5FFApaS7/2025-01-15_23-09-43/1gf0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 335.92}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 335.92 }, "water": "amber14/tip3pfb.xml" }
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3807 06b617da-8441-4670-b020-f0f80e6f1e48 2lyq 2025-01-15 23:09:13 2025-01-16 00:56:57 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lyq/5F4tQyWr/2025-01-15_23-09-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lyq/5F4tQyWr/2025-01-15_23-09-11/2lyq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 348.53}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 348.53 }, "water": "amber14/tip3pfb.xml" }
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3847 f7959fe9-c228-410f-8555-2cf0f83dddca 1oig 2025-01-15 23:08:50 2025-01-16 01:01:57 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oig/5GKH9FPP/2025-01-15_23-08-49/1oig.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oig/5GKH9FPP/2025-01-15_23-08-49/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oig/5GKH9FPP/2025-01-15_23-08-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oig/5GKH9FPP/2025-01-15_23-08-49/1oig.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 375.44}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 375.44 }, "water": "charmm36/water.xml" }
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3846 75f73d4e-4852-4592-8ccf-4cca1a2fae18 1jqv 2025-01-15 23:08:38 2025-01-16 01:41:07 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jqv/5FFApaS7/2025-01-15_23-08-37/1jqv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jqv/5FFApaS7/2025-01-15_23-08-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jqv/5FFApaS7/2025-01-15_23-08-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jqv/5FFApaS7/2025-01-15_23-08-37/1jqv.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 201.14}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 201.14 }, "water": "charmm36/water.xml" }
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Showing items 11301 to 11320 of 15161 entries