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
15139 068d829b-baa3-4b2a-8cc2-4fa989d5f884 5lo2 2025-01-30 17:35:47 2025-01-30 19:19:25 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lo2/5Cg5QgjM/2025-01-30_17-35-45/5lo2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lo2/5Cg5QgjM/2025-01-30_17-35-45/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lo2/5Cg5QgjM/2025-01-30_17-35-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lo2/5Cg5QgjM/2025-01-30_17-35-45/5lo2.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 272.66}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 272.66 }, "water": "amber14/tip3pfb.xml" }
 -2320.5703 2025-01-30 18:18:03 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5EqEJuYc/2025-01-30_19-19-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5CoEdgdk/2025-01-30_19-19-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5G27Crdi/2025-01-30_19-19-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5DXvZ6kW/2025-01-30_19-19-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5Gx3DkGG/2025-01-30_19-19-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5EycN1NE/2025-01-30_19-19-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5GR4rEwj/2025-01-30_19-19-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5CarftSX/2025-01-30_19-19-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5EyWujpT/2025-01-30_19-19-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lo2/5Cg5QgjM/5ExkyH3g/2025-01-30_19-19-29/md_0_1.cpt" ]
15138 ee0c993d-f6f0-47bb-bac4-0cb9e757f167 4zv7 2025-01-30 17:35:42 2025-01-30 19:18:54 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4zv7/5Cg5QgjM/2025-01-30_17-35-40/4zv7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4zv7/5Cg5QgjM/2025-01-30_17-35-40/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4zv7/5Cg5QgjM/2025-01-30_17-35-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4zv7/5Cg5QgjM/2025-01-30_17-35-40/4zv7.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 333.96}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 333.96 }, "water": "amber14/tip3pfb.xml" }
 -17103.1680 2025-01-30 18:17:06 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5C595wt7/2025-01-30_19-18-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5DFWAKb5/2025-01-30_19-18-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5FZoGG7x/2025-01-30_19-18-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5H4BcoLo/2025-01-30_19-18-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5Ec4Vqsh/2025-01-30_19-18-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5Fuos1nD/2025-01-30_19-18-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5EsKXx7M/2025-01-30_19-18-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5CY9apyj/2025-01-30_19-18-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5HN4zGAv/2025-01-30_19-18-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4zv7/5Cg5QgjM/5Eo36DdG/2025-01-30_19-18-58/md_0_1.cpt']
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15137 ac5040b6-5655-475e-b0a3-6ff3a8805853 2mh3 2025-01-30 17:35:29 2025-01-30 21:39:04 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mh3/5HEo565W/2025-01-30_17-35-28/2mh3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mh3/5HEo565W/2025-01-30_17-35-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mh3/5HEo565W/2025-01-30_17-35-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mh3/5HEo565W/2025-01-30_17-35-28/2mh3.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 318.49}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.9, "temperature": 318.49 }, "water": "charmm36/water.xml" }
 -10211.6465 2025-01-30 19:44:14 600 5 1500 1.000000 5
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15106 44e3e818-9368-4f72-9b1c-98914c7be161 2ba3 2025-01-30 17:33:15 2025-01-30 19:58:51 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ba3/5F4tQyWr/2025-01-30_17-33-13/2ba3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ba3/5F4tQyWr/2025-01-30_17-33-13/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ba3/5F4tQyWr/2025-01-30_17-33-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ba3/5F4tQyWr/2025-01-30_17-33-13/2ba3.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 365.14}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 365.14 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f90/5F4tQyWr/2025-01-30_17-31-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f90/5F4tQyWr/2025-01-30_17-31-12/1f90.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 273.98}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 273.98 }, "water": "amber14/tip3pfb.xml" }
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15136 e9ee0769-4b7c-488d-be30-3d0c650a142e 5y0h 2025-01-30 17:29:55 2025-01-30 21:31:55 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5y0h/5HEo565W/2025-01-30_17-29-54/5y0h.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5y0h/5HEo565W/2025-01-30_17-29-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5y0h/5HEo565W/2025-01-30_17-29-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5y0h/5HEo565W/2025-01-30_17-29-54/5y0h.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 367.79}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 367.79 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iti/5HYk8DMK/2025-01-30_17-27-01/1iti.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iti/5HYk8DMK/2025-01-30_17-27-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iti/5HYk8DMK/2025-01-30_17-27-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iti/5HYk8DMK/2025-01-30_17-27-01/1iti.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 250.33}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 250.33 }, "water": "charmm36/water.xml" }
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15134 f307c45a-37be-4e2f-a515-5cde0bb43559 3dhm 2025-01-30 17:23:37 2025-01-30 18:58:36 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dhm/5Cg5QgjM/2025-01-30_17-23-35/3dhm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dhm/5Cg5QgjM/2025-01-30_17-23-35/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dhm/5Cg5QgjM/2025-01-30_17-23-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dhm/5Cg5QgjM/2025-01-30_17-23-35/3dhm.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 278.34}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 278.34 }, "water": "amber14/tip3pfb.xml" }
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15133 7ec4d31f-1199-463a-b1d6-c7c87511b9fd 1fdh 2025-01-30 17:23:17 2025-01-30 19:41:56 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fdh/5Cg5QgjM/2025-01-30_17-23-15/1fdh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fdh/5Cg5QgjM/2025-01-30_17-23-15/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fdh/5Cg5QgjM/2025-01-30_17-23-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fdh/5Cg5QgjM/2025-01-30_17-23-15/1fdh.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 399.91}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 399.91 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jrf/5Cg5QgjM/2025-01-30_17-22-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jrf/5Cg5QgjM/2025-01-30_17-22-02/1jrf.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 366.4}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 366.4 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2aw0/5HYk8DMK/2025-01-30_17-21-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2aw0/5HYk8DMK/2025-01-30_17-21-11/2aw0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 356.97}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 356.97 }, "water": "amber14/tip3pfb.xml" }
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15130 81d631a8-11d3-4b53-9d63-2ca2d057b493 1uc0 2025-01-30 17:20:48 2025-01-30 18:54:06 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uc0/5Cg5QgjM/2025-01-30_17-20-46/1uc0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uc0/5Cg5QgjM/2025-01-30_17-20-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uc0/5Cg5QgjM/2025-01-30_17-20-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uc0/5Cg5QgjM/2025-01-30_17-20-46/1uc0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 371.83}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 371.83 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 394.39}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 394.39 }, "water": "charmm36/water.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 241.81}}
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 214.13}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 214.13 }, "water": "amber14/tip3pfb.xml" }
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15126 ef9ee563-e6e3-413c-8395-b6255c2eff37 1ppb 2025-01-30 17:10:51 2025-01-30 19:15:54 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppb/5HYk8DMK/2025-01-30_17-10-49/1ppb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppb/5HYk8DMK/2025-01-30_17-10-49/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppb/5HYk8DMK/2025-01-30_17-10-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppb/5HYk8DMK/2025-01-30_17-10-49/1ppb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 365.23}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 365.23 }, "water": "amber14/tip3pfb.xml" }
 -27786.9727 2025-01-30 18:18:33 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5HN5q9Fa/2025-01-30_19-16-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5G9vwUF5/2025-01-30_19-16-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5DPprcfa/2025-01-30_19-16-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5G4kqfwh/2025-01-30_19-16-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5C4xDki7/2025-01-30_19-16-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5CMEJjrh/2025-01-30_19-16-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5ELBjjiT/2025-01-30_19-16-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5DaVVLYY/2025-01-30_19-16-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5CJmAajh/2025-01-30_19-16-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppb/5HYk8DMK/5FxpkNkq/2025-01-30_19-16-04/md_0_1_old.cpt" ]
15125 46bcae5d-1f4a-46c9-b01c-85ae0c1b8ee3 2d9a 2025-01-30 17:06:34 2025-01-30 20:13:31 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d9a/5F2CsUDV/2025-01-30_17-06-32/2d9a.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d9a/5F2CsUDV/2025-01-30_17-06-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d9a/5F2CsUDV/2025-01-30_17-06-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d9a/5F2CsUDV/2025-01-30_17-06-32/2d9a.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 283.05}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 283.05 }, "water": "charmm36/water.xml" }
 -1685.5559 2025-01-30 19:04:25 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5HGrqUKc/2025-01-30_20-13-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5EbgU56i/2025-01-30_20-13-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5CY9apyj/2025-01-30_20-13-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5HGuQx5w/2025-01-30_20-13-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5FRHk95S/2025-01-30_20-13-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5HYkJT1S/2025-01-30_20-13-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5EsKXx7M/2025-01-30_20-13-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5GEhtD5B/2025-01-30_20-13-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5EqEJuYc/2025-01-30_20-13-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2d9a/5F2CsUDV/5CHpNaFM/2025-01-30_20-13-42/md_0_1.cpt" ]
15124 91d37d05-78cf-4809-8a27-2ecaa66ab712 5ch0 2025-01-30 17:05:40 2025-01-30 19:45:54 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ch0/5GKH9FPP/2025-01-30_17-05-35/5ch0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ch0/5GKH9FPP/2025-01-30_17-05-35/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ch0/5GKH9FPP/2025-01-30_17-05-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ch0/5GKH9FPP/2025-01-30_17-05-35/5ch0.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 209.82}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 209.82 }, "water": "amber14/tip3pfb.xml" }
 -1896.9967 2025-01-30 17:53:37 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5CaPMXwr/2025-01-30_19-46-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5CSqSvkr/2025-01-30_19-46-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5Dc8cxYU/2025-01-30_19-46-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5HYkJT1S/2025-01-30_19-46-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5GrmnoWJ/2025-01-30_19-46-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5GbtQBrz/2025-01-30_19-46-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5C7LuavG/2025-01-30_19-46-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5GTWqP6S/2025-01-30_19-46-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5E4Eu5KB/2025-01-30_19-46-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ch0/5GKH9FPP/5DST8S6N/2025-01-30_19-46-04/md_0_1_old.cpt" ]
15123 71857e06-add7-4290-a8a5-dd0c7e740c6b 2o6s 2025-01-30 17:04:12 2025-01-30 20:21:25 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2o6s/5FFApaS7/2025-01-30_17-04-10/2o6s.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2o6s/5FFApaS7/2025-01-30_17-04-10/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2o6s/5FFApaS7/2025-01-30_17-04-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2o6s/5FFApaS7/2025-01-30_17-04-10/2o6s.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 220.95}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 220.95 }, "water": "charmm36/water.xml" }
 -20861.0898 2025-01-30 18:55:24 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5G9vwUF5/2025-01-30_20-21-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5FHgDbX7/2025-01-30_20-21-36/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5FFFNMin/2025-01-30_20-21-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5GsSM359/2025-01-30_20-21-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5Gurm68i/2025-01-30_20-21-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5FZEixsS/2025-01-30_20-21-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5Grg3vXe/2025-01-30_20-21-38/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5HYkJT1S/2025-01-30_20-21-38/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5FdvaRoH/2025-01-30_20-21-38/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2o6s/5FFApaS7/5GpsZaPf/2025-01-30_20-21-39/md_0_1_old.cpt" ]
15121 64495eb7-9025-46aa-a842-ea54468c2db6 1fvn 2025-01-30 17:00:50 2025-01-30 19:45:01 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fvn/5GKH9FPP/2025-01-30_17-00-47/1fvn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fvn/5GKH9FPP/2025-01-30_17-00-47/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fvn/5GKH9FPP/2025-01-30_17-00-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fvn/5GKH9FPP/2025-01-30_17-00-47/1fvn.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 350.48}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 350.48 }, "water": "charmm36/water.xml" }
 -4560.0483 2025-01-30 18:29:33 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5F6bUfiS/2025-01-30_19-45-08/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5C595wt7/2025-01-30_19-45-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5EEy7nWM/2025-01-30_19-45-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5HmPbPUa/2025-01-30_19-45-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5Fv5nUTQ/2025-01-30_19-45-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5G4kqfwh/2025-01-30_19-45-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5HotM239/2025-01-30_19-45-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5FcDSsb4/2025-01-30_19-45-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5HYficC7/2025-01-30_19-45-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fvn/5GKH9FPP/5FRnnfyx/2025-01-30_19-45-21/md_0_1.cpt" ]
Showing items 961 to 980 of 16097 entries