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
15773 2965c673-64dd-4692-85f2-964b085667c5 6jn7 2025-01-31 11:57:59 2025-01-31 13:59:49 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jn7/5Cg5QgjM/2025-01-31_11-57-56/6jn7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jn7/5Cg5QgjM/2025-01-31_11-57-56/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jn7/5Cg5QgjM/2025-01-31_11-57-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jn7/5Cg5QgjM/2025-01-31_11-57-56/6jn7.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 360.45}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 360.45 }, "water": "amber14/tip3pfb.xml" }
 -23684.7871 2025-01-31 13:01:08 600 5 1500 1.000000 5
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15772 8942b974-0467-4f93-acb5-e77273210d5e 2kyt 2025-01-31 11:57:00 2025-01-31 13:55:44 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kyt/5Cg5QgjM/2025-01-31_11-56-58/2kyt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kyt/5Cg5QgjM/2025-01-31_11-56-58/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kyt/5Cg5QgjM/2025-01-31_11-56-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kyt/5Cg5QgjM/2025-01-31_11-56-58/2kyt.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 323.61}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 323.61 }, "water": "charmm36/water.xml" }
 -5392.3813 2025-01-31 12:57:41 600 5 1500 1.000000 5
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15729 2e31f8b1-6913-4a08-aa42-db34ee9fe6fd 1d9y 2025-01-31 11:54:28 2025-01-31 13:38:28 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d9y/5F4tQyWr/2025-01-31_11-54-26/1d9y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d9y/5F4tQyWr/2025-01-31_11-54-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d9y/5F4tQyWr/2025-01-31_11-54-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1d9y/5F4tQyWr/2025-01-31_11-54-26/1d9y.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 210.03}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 210.03 }, "water": "charmm36/water.xml" }
 -18821.4844 2025-01-31 12:42:40 600 5 1500 1.000000 5
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15728 9fec6aa3-edea-4e01-ae7b-a4e5a68e68bf 5lj1 2025-01-31 11:54:14 2025-01-31 13:33:50 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lj1/5F4tQyWr/2025-01-31_11-54-13/5lj1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lj1/5F4tQyWr/2025-01-31_11-54-13/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lj1/5F4tQyWr/2025-01-31_11-54-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lj1/5F4tQyWr/2025-01-31_11-54-13/5lj1.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 346.7}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 346.7 }, "water": "charmm36/water.xml" }
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15771 a38dccfe-eb4e-4697-a22a-bb7028ffbf68 2hxk 2025-01-31 11:54:03 2025-01-31 13:40:00 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hxk/5FFApaS7/2025-01-31_11-54-02/2hxk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hxk/5FFApaS7/2025-01-31_11-54-02/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hxk/5FFApaS7/2025-01-31_11-54-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2hxk/5FFApaS7/2025-01-31_11-54-02/2hxk.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 293.79}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 293.79 }, "water": "amber14/tip3pfb.xml" }
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15770 04ccf8a3-ff63-4818-a389-204c94a6627c 1hee 2025-01-31 11:53:56 2025-01-31 13:51:34 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hee/5CzFiYvB/2025-01-31_11-53-54/1hee.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hee/5CzFiYvB/2025-01-31_11-53-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hee/5CzFiYvB/2025-01-31_11-53-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hee/5CzFiYvB/2025-01-31_11-53-54/1hee.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 292.77}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 292.77 }, "water": "amber14/tip3pfb.xml" }
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15768 9924bfec-83f2-4d6e-833a-cda399154db5 2llw 2025-01-31 11:51:19 2025-01-31 13:44:00 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2llw/5GKH9FPP/2025-01-31_11-51-17/2llw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2llw/5GKH9FPP/2025-01-31_11-51-17/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2llw/5GKH9FPP/2025-01-31_11-51-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2llw/5GKH9FPP/2025-01-31_11-51-17/2llw.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 357.6}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 357.6 }, "water": "amber14/tip3pfb.xml" }
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15727 4a6f070f-2431-4b16-af9e-689d84eb62d8 7ksb 2025-01-31 11:49:50 2025-01-31 13:30:30 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ksb/5F4tQyWr/2025-01-31_11-49-48/7ksb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ksb/5F4tQyWr/2025-01-31_11-49-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ksb/5F4tQyWr/2025-01-31_11-49-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ksb/5F4tQyWr/2025-01-31_11-49-48/7ksb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 362.1}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 362.1 }, "water": "amber14/tip3pfb.xml" }
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15766 de53f498-4ae8-4618-8286-df8e0983f0fc 9avq 2025-01-31 11:47:45 2025-01-31 13:38:13 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/9avq/5FFApaS7/2025-01-31_11-47-43/9avq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/9avq/5FFApaS7/2025-01-31_11-47-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/9avq/5FFApaS7/2025-01-31_11-47-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/9avq/5FFApaS7/2025-01-31_11-47-43/9avq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 236.71}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 236.71 }, "water": "amber14/tip3pfb.xml" }
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15765 2de8daeb-2137-4f9d-b8d0-d4d0b78c38a6 8af6 2025-01-31 11:46:18 2025-01-31 13:36:39 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8af6/5FFApaS7/2025-01-31_11-46-17/8af6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8af6/5FFApaS7/2025-01-31_11-46-17/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8af6/5FFApaS7/2025-01-31_11-46-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8af6/5FFApaS7/2025-01-31_11-46-17/8af6.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 394.98}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 394.98 }, "water": "charmm36/water.xml" }
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15764 987f2db0-2dc4-4e9f-811e-d626bd4ddb62 4lyc 2025-01-31 11:45:37 2025-01-31 13:42:28 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lyc/5GKH9FPP/2025-01-31_11-45-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lyc/5GKH9FPP/2025-01-31_11-45-07/4lyc.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 322.59}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 322.59 }, "water": "amber14/tip3pfb.xml" }
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15763 f0d5fe8f-c069-469d-9a55-b30fea1b8630 3f16 2025-01-31 11:45:08 2025-01-31 14:38:19 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f16/5HEo565W/2025-01-31_11-45-08/3f16.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f16/5HEo565W/2025-01-31_11-45-08/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f16/5HEo565W/2025-01-31_11-45-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f16/5HEo565W/2025-01-31_11-45-08/3f16.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 399.52}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 399.52 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hvs/5GKH9FPP/2025-01-31_11-45-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hvs/5GKH9FPP/2025-01-31_11-45-02/8hvs.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 347.55}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 347.55 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yhe/5CzFiYvB/2025-01-31_11-43-55/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yhe/5CzFiYvB/2025-01-31_11-43-55/1yhe.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 265.33}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 265.33 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dqq/5HYk8DMK/2025-01-31_11-43-05/6dqq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dqq/5HYk8DMK/2025-01-31_11-43-05/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dqq/5HYk8DMK/2025-01-31_11-43-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6dqq/5HYk8DMK/2025-01-31_11-43-05/6dqq.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 345.69}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 345.69 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jax/5F2CsUDV/2025-01-31_11-40-20/1jax.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jax/5F2CsUDV/2025-01-31_11-40-20/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jax/5F2CsUDV/2025-01-31_11-40-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1jax/5F2CsUDV/2025-01-31_11-40-20/1jax.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 282.15}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 282.15 }, "water": "charmm36/water.xml" }
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15758 aea962cc-d768-42b0-9d69-5048626385d5 1hwr 2025-01-31 11:39:13 2025-01-31 13:21:12 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hwr/5HYk8DMK/2025-01-31_11-39-12/1hwr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hwr/5HYk8DMK/2025-01-31_11-39-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hwr/5HYk8DMK/2025-01-31_11-39-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hwr/5HYk8DMK/2025-01-31_11-39-12/1hwr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 358.39}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 358.39 }, "water": "amber14/tip3pfb.xml" }
 -12837.3535 2025-01-31 12:21:49 600 5 1500 1.000000 5
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15757 3a9818cc-89f8-44e2-b126-48cad606e768 2k1r 2025-01-31 11:39:07 2025-01-31 13:33:14 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k1r/5Cg5QgjM/2025-01-31_11-38-46/2k1r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k1r/5Cg5QgjM/2025-01-31_11-38-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k1r/5Cg5QgjM/2025-01-31_11-38-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k1r/5Cg5QgjM/2025-01-31_11-38-46/2k1r.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 335.51}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 335.51 }, "water": "amber14/tip3pfb.xml" }
 -8322.3486 2025-01-31 12:37:15 600 5 1500 1.000000 5
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g14/5CzFiYvB/2025-01-31_11-38-31/2g14.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g14/5CzFiYvB/2025-01-31_11-38-31/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g14/5CzFiYvB/2025-01-31_11-38-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g14/5CzFiYvB/2025-01-31_11-38-31/2g14.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 224.36}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 224.36 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2g14/5CzFiYvB/5HU3t5Nc/2025-01-31_13-43-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2g14/5CzFiYvB/5FLh1jsy/2025-01-31_13-43-24/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2g14/5CzFiYvB/5FeeZzWZ/2025-01-31_13-43-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2g14/5CzFiYvB/5CJmAajh/2025-01-31_13-43-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2g14/5CzFiYvB/5HpCxvH5/2025-01-31_13-43-25/md_0_1_old.cpt" ]
15755 2c835eb6-f1c7-43f4-bf76-537e0dae572c 2e0h 2025-01-31 11:38:32 2025-01-31 15:13:23 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e0h/5F2CsUDV/2025-01-31_11-38-25/2e0h.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e0h/5F2CsUDV/2025-01-31_11-38-25/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e0h/5F2CsUDV/2025-01-31_11-38-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e0h/5F2CsUDV/2025-01-31_11-38-25/2e0h.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 223.15}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 223.15 }, "water": "charmm36/water.xml" }
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Showing items 1521 to 1540 of 17289 entries