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
11928 a692be35-9752-454d-98b4-c4d23899e2c8 1av2 2025-01-26 10:58:49 2025-01-26 13:21:38 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1av2/5F4tQyWr/2025-01-26_10-58-48/1av2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1av2/5F4tQyWr/2025-01-26_10-58-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1av2/5F4tQyWr/2025-01-26_10-58-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1av2/5F4tQyWr/2025-01-26_10-58-48/1av2.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 206.1}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 206.1 }, "water": "amber14/tip3pfb.xml" }
 -3118.7041 2025-01-26 12:12:30 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5CaPMXwr/2025-01-26_13-21-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5HpDuDJb/2025-01-26_13-21-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5CV8vqhD/2025-01-26_13-21-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5EWwHneX/2025-01-26_13-21-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5Dka3Vh6/2025-01-26_13-21-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5GBxk4YT/2025-01-26_13-21-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5EycN1NE/2025-01-26_13-21-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5Ca47zJP/2025-01-26_13-21-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5H5wXPTT/2025-01-26_13-21-47/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1av2/5F4tQyWr/5HpCxvH5/2025-01-26_13-21-47/md_0_1.cpt" ]
11956 2d7a0430-7dfb-41f4-9f2f-fbc96e039ab5 1v5k 2025-01-26 10:58:43 2025-01-26 13:24:54 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5k/5HYk8DMK/2025-01-26_10-58-42/1v5k.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5k/5HYk8DMK/2025-01-26_10-58-42/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5k/5HYk8DMK/2025-01-26_10-58-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5k/5HYk8DMK/2025-01-26_10-58-42/1v5k.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 207.0}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 207.0 }, "water": "charmm36/water.xml" }
 -4571.8311 2025-01-26 12:58:42 600 5 1500 1.000000 5
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11955 bbf70cde-10ce-4906-9102-c44c076a9bc1 1kn1 2025-01-26 10:58:13 2025-01-26 14:44:50 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kn1/5HEo565W/2025-01-26_10-58-12/1kn1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kn1/5HEo565W/2025-01-26_10-58-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kn1/5HEo565W/2025-01-26_10-58-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kn1/5HEo565W/2025-01-26_10-58-12/1kn1.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 272.62}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 272.62 }, "water": "charmm36/water.xml" }
 -22667.2949 2025-01-26 13:00:26 600 5 1500 1.000000 5
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11954 28ed6274-f114-4503-82ec-dc11be1cdc64 1ixh 2025-01-26 10:55:20 2025-01-26 15:29:48 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ixh/5FFApaS7/2025-01-26_10-55-19/1ixh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ixh/5FFApaS7/2025-01-26_10-55-19/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ixh/5FFApaS7/2025-01-26_10-55-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ixh/5FFApaS7/2025-01-26_10-55-19/1ixh.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 287.83}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 287.83 }, "water": "amber14/tip3pfb.xml" }
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11953 5c37982a-791d-4918-9246-7819bed155f1 1j0t 2025-01-26 10:52:46 2025-01-26 15:27:42 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j0t/5FFApaS7/2025-01-26_10-52-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j0t/5FFApaS7/2025-01-26_10-52-45/1j0t.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 335.08}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 335.08 }, "water": "charmm36/water.xml" }
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11952 6f0ef129-f4c2-46cd-b323-6dc9b8b5c383 3bwa 2025-01-26 10:49:23 2025-01-26 13:14:30 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3bwa/5GKH9FPP/2025-01-26_10-45-21/3bwa.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3bwa/5GKH9FPP/2025-01-26_10-45-21/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3bwa/5GKH9FPP/2025-01-26_10-45-21/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3bwa/5GKH9FPP/2025-01-26_10-45-21/3bwa.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 239.83}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 239.83 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1i26/5Cg5QgjM/2025-01-26_10-45-58/1i26.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1i26/5Cg5QgjM/2025-01-26_10-45-58/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1i26/5Cg5QgjM/2025-01-26_10-45-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1i26/5Cg5QgjM/2025-01-26_10-45-58/1i26.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 350.33}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 350.33 }, "water": "amber14/tip3pfb.xml" }
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11950 b5ccc440-e3ca-494c-9f64-a207b2ea004c 6poj 2025-01-26 10:45:47 2025-01-26 12:16:15 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6poj/5Cg5QgjM/2025-01-26_10-45-45/6poj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6poj/5Cg5QgjM/2025-01-26_10-45-45/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6poj/5Cg5QgjM/2025-01-26_10-45-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6poj/5Cg5QgjM/2025-01-26_10-45-45/6poj.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 269.09}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 269.09 }, "water": "amber14/tip3pfb.xml" }
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11949 18de6037-bd95-4ed8-be81-fb828eb914a5 5c0d 2025-01-26 10:43:40 2025-01-26 13:45:43 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5c0d/5F2CsUDV/2025-01-26_10-43-37/5c0d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5c0d/5F2CsUDV/2025-01-26_10-43-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5c0d/5F2CsUDV/2025-01-26_10-43-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5c0d/5F2CsUDV/2025-01-26_10-43-37/5c0d.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 232.32}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 232.32 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mrn/5GKH9FPP/2025-01-26_10-43-29/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mrn/5GKH9FPP/2025-01-26_10-43-29/2mrn.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 201.93}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 201.93 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 368.1}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 368.1 }, "water": "charmm36/water.xml" }
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11946 09b58a0a-22eb-484e-88f0-48ca3378a718 3eb4 2025-01-26 10:39:53 2025-01-26 13:37:45 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3eb4/5F2CsUDV/2025-01-26_10-39-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3eb4/5F2CsUDV/2025-01-26_10-39-51/3eb4.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 230.77}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 230.77 }, "water": "charmm36/water.xml" }
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11944 bfcb8950-d09e-4311-9c8b-ddaad425e21c 6f2f 2025-01-26 10:38:03 2025-01-26 14:46:15 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f2f/5FFApaS7/2025-01-26_10-38-02/6f2f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f2f/5FFApaS7/2025-01-26_10-38-02/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f2f/5FFApaS7/2025-01-26_10-38-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f2f/5FFApaS7/2025-01-26_10-38-02/6f2f.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 261.69}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 261.69 }, "water": "charmm36/water.xml" }
 -37907.7578 2025-01-26 11:36:11 600 5 1500 1.000000 5
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11943 25e5b47c-94a4-43b4-ac27-0c8d2890e08e 1ilu 2025-01-26 10:35:40 2025-01-26 14:38:32 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ilu/5FFApaS7/2025-01-26_10-35-39/1ilu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ilu/5FFApaS7/2025-01-26_10-35-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ilu/5FFApaS7/2025-01-26_10-35-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ilu/5FFApaS7/2025-01-26_10-35-39/1ilu.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 208.05}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 208.05 }, "water": "charmm36/water.xml" }
 -69049.2734 2025-01-26 13:22:50 600 5 1500 1.000000 5
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11908 bf80ab19-5b1b-4ac0-b09d-1b489155b63c 2eha 2025-01-26 10:30:28 2025-01-26 12:53:13 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eha/5F4tQyWr/2025-01-26_10-30-26/2eha.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eha/5F4tQyWr/2025-01-26_10-30-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eha/5F4tQyWr/2025-01-26_10-30-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eha/5F4tQyWr/2025-01-26_10-30-26/2eha.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 247.52}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 247.52 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 372.91}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 372.91 }, "water": "amber14/tip3pfb.xml" }
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11940 b41d87e2-c00d-4810-a0f7-a0f3f84c0546 3hyu 2025-01-26 10:28:39 2025-01-26 14:07:07 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 397.14}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 397.14 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6db2/5FFApaS7/2025-01-26_10-28-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6db2/5FFApaS7/2025-01-26_10-28-25/6db2.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 270.23}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 270.23 }, "water": "charmm36/water.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5DS3joaF/2025-01-26_14-09-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5GjSmYTj/2025-01-26_14-09-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5DyitGMU/2025-01-26_14-09-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5ExkyH3g/2025-01-26_14-09-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5ENVJyUM/2025-01-26_14-09-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5CMHnFiW/2025-01-26_14-09-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5FWYXGNx/2025-01-26_14-09-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5ESEfcCx/2025-01-26_14-09-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5DEyuVfF/2025-01-26_14-09-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6db2/5FFApaS7/5G4kqfwh/2025-01-26_14-09-23/md_0_1.cpt" ]
11937 18979bb4-0842-47fd-b21c-a158427aad2f 6b9w 2025-01-26 10:26:26 2025-01-26 11:59:14 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b9w/5Cg5QgjM/2025-01-26_10-26-24/6b9w.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b9w/5Cg5QgjM/2025-01-26_10-26-24/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b9w/5Cg5QgjM/2025-01-26_10-26-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b9w/5Cg5QgjM/2025-01-26_10-26-24/6b9w.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 324.28}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 324.28 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5HonwvyF/2025-01-26_11-59-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5FRHk95S/2025-01-26_11-59-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5FLh1jsy/2025-01-26_11-59-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5FFZBVP6/2025-01-26_11-59-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5Ey8VdnS/2025-01-26_11-59-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5E2VPvK2/2025-01-26_11-59-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5Eq9hKu9/2025-01-26_11-59-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5CSqSvkr/2025-01-26_11-59-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5Hn6NVLW/2025-01-26_11-59-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6b9w/5Cg5QgjM/5EcFV1Tp/2025-01-26_11-59-18/md_0_1.cpt" ]
11935 143acc88-ca4a-480a-a08c-4dda4ff27f28 3sxv 2025-01-26 10:21:49 2025-01-26 12:51:17 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3sxv/5HYk8DMK/2025-01-26_10-21-48/3sxv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3sxv/5HYk8DMK/2025-01-26_10-21-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3sxv/5HYk8DMK/2025-01-26_10-21-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3sxv/5HYk8DMK/2025-01-26_10-21-48/3sxv.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 304.51}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 304.51 }, "water": "amber14/tip3pfb.xml" }
 -57841.4141 2025-01-26 11:39:37 600 5 1500 1.000000 5
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Showing items 461 to 480 of 12412 entries