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
10194 c6d6cd2d-7aee-4bcc-9a38-3983bf0e7e9f 7kyz 2025-01-23 15:04:34 2025-01-23 17:11:31 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kyz/5HYk8DMK/2025-01-23_15-04-32/7kyz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kyz/5HYk8DMK/2025-01-23_15-04-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kyz/5HYk8DMK/2025-01-23_15-04-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7kyz/5HYk8DMK/2025-01-23_15-04-32/7kyz.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 280.46}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 280.46 }, "water": "charmm36/water.xml" }
 -17502.0625 2025-01-23 15:56:38 600 5 1500 1.000000 5
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10193 d6ca792b-e68e-44b6-a1b2-006f98ee6902 1xz2 2025-01-23 15:02:56 2025-01-23 18:28:37 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xz2/5F2CsUDV/2025-01-23_15-02-53/1xz2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xz2/5F2CsUDV/2025-01-23_15-02-53/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xz2/5F2CsUDV/2025-01-23_15-02-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xz2/5F2CsUDV/2025-01-23_15-02-53/1xz2.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 391.06}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 391.06 }, "water": "amber14/tip3pfb.xml" }
 -24559.6953 2025-01-23 16:44:23 600 5 1500 1.000000 5
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10146 e29545d1-1185-4dad-91c6-44be8ea472cc 2y44 2025-01-23 15:01:08 2025-01-23 16:40:40 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2y44/5F4tQyWr/2025-01-23_15-01-06/2y44.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2y44/5F4tQyWr/2025-01-23_15-01-06/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2y44/5F4tQyWr/2025-01-23_15-01-06/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2y44/5F4tQyWr/2025-01-23_15-01-06/2y44.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 228.72}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.9, "temperature": 228.72 }, "water": "charmm36/water.xml" }
 -19737.8633 2025-01-23 15:47:47 600 5 1500 1.000000 5
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10143 cc868c42-667f-4962-b996-f8cefe923456 1dcv 2025-01-23 14:57:42 2025-01-23 16:37:35 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dcv/5F4tQyWr/2025-01-23_14-57-41/1dcv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dcv/5F4tQyWr/2025-01-23_14-57-41/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dcv/5F4tQyWr/2025-01-23_14-57-41/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dcv/5F4tQyWr/2025-01-23_14-57-41/1dcv.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 233.95}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 233.95 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d48/5F2CsUDV/2025-01-23_14-56-42/2d48.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d48/5F2CsUDV/2025-01-23_14-56-42/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d48/5F2CsUDV/2025-01-23_14-56-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2d48/5F2CsUDV/2025-01-23_14-56-42/2d48.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 342.31}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 342.31 }, "water": "amber14/tip3pfb.xml" }
 -12715.3525 2025-01-23 17:41:10 600 5 1500 1.000000 5
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10191 7c7e196f-48c5-4340-a6eb-07291198f2dc 3px9 2025-01-23 14:55:21 2025-01-23 17:49:28 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3px9/5FFApaS7/2025-01-23_14-55-16/3px9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3px9/5FFApaS7/2025-01-23_14-55-16/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3px9/5FFApaS7/2025-01-23_14-55-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3px9/5FFApaS7/2025-01-23_14-55-16/3px9.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 291.14}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 291.14 }, "water": "amber14/tip3pfb.xml" }
 -29933.9336 2025-01-23 15:42:36 600 5 1500 1.000000 5
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7d16/5F4tQyWr/2025-01-23_14-54-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7d16/5F4tQyWr/2025-01-23_14-54-09/7d16.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 349.32}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 349.32 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pp5/5FFApaS7/2025-01-23_14-52-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pp5/5FFApaS7/2025-01-23_14-52-58/8pp5.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 211.22}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 211.22 }, "water": "charmm36/water.xml" }
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10189 60baa814-c90f-4933-bf4f-6bc48b6e9f0a 5d21 2025-01-23 14:50:15 2025-01-23 17:26:02 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5d21/5FFApaS7/2025-01-23_14-50-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5d21/5FFApaS7/2025-01-23_14-50-10/5d21.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 317.96}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 317.96 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 217.38}}
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10188 e0e4d575-7f1c-4413-8a9a-5d3ebe13700c 4mqi 2025-01-23 14:48:31 2025-01-23 18:09:13 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV
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{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 315.75}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 315.75 }, "water": "charmm36/water.xml" }
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10185 b1787cfb-d832-4b46-ab36-31a46a64f2a6 1xya 2025-01-23 14:47:55 2025-01-23 17:23:04 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xya/5FFApaS7/2025-01-23_14-47-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xya/5FFApaS7/2025-01-23_14-47-54/1xya.pdb" }
{'ff': 'charmm36.xml', 'box': 'octahedron', 'water': 'charmm36/tip4p2005.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 340.22}}
{ "box": "octahedron", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.9, "temperature": 340.22 }, "water": "charmm36/tip4p2005.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 331.2}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 331.2 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l7p/5HYk8DMK/2025-01-23_14-46-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l7p/5HYk8DMK/2025-01-23_14-46-31/2l7p.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 212.38}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 212.38 }, "water": "amber14/tip3pfb.xml" }
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10182 2786af4b-921e-420a-9fc5-730698471476 1zrr 2025-01-23 14:45:55 2025-01-23 16:13:09 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zrr/5CzFiYvB/2025-01-23_14-45-54/1zrr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zrr/5CzFiYvB/2025-01-23_14-45-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zrr/5CzFiYvB/2025-01-23_14-45-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zrr/5CzFiYvB/2025-01-23_14-45-54/1zrr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 244.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 244.16 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5hz6/5CzFiYvB/2025-01-23_14-44-16/5hz6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5hz6/5CzFiYvB/2025-01-23_14-44-16/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5hz6/5CzFiYvB/2025-01-23_14-44-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5hz6/5CzFiYvB/2025-01-23_14-44-16/5hz6.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 223.35}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 223.35 }, "water": "charmm36/water.xml" }
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10178 7161f034-4487-4f1e-b121-3c449910a908 2cqo 2025-01-23 14:44:02 2025-01-23 16:08:58 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqo/5CzFiYvB/2025-01-23_14-43-59/2cqo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqo/5CzFiYvB/2025-01-23_14-43-59/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqo/5CzFiYvB/2025-01-23_14-43-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqo/5CzFiYvB/2025-01-23_14-43-59/2cqo.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 312.52}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 312.52 }, "water": "charmm36/water.xml" }
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10177 e389a704-42dd-4766-a78d-939d6e6eb552 3k7y 2025-01-23 14:43:28 2025-01-23 16:45:28 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3k7y/5HYk8DMK/2025-01-23_14-43-25/3k7y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3k7y/5HYk8DMK/2025-01-23_14-43-25/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3k7y/5HYk8DMK/2025-01-23_14-43-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3k7y/5HYk8DMK/2025-01-23_14-43-25/3k7y.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 352.07}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 352.07 }, "water": "amber14/tip3pfb.xml" }
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10176 0d15607e-8f9b-46a3-ac00-17ce3b972dc8 2a4h 2025-01-23 14:42:41 2025-01-23 16:15:51 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2a4h/5GKH9FPP/2025-01-23_14-42-39/2a4h.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2a4h/5GKH9FPP/2025-01-23_14-42-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2a4h/5GKH9FPP/2025-01-23_14-42-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2a4h/5GKH9FPP/2025-01-23_14-42-39/2a4h.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 204.27}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 204.27 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5FH24sg8/2025-01-23_16-16-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5H1PLX45/2025-01-23_16-16-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5C8aeZq1/2025-01-23_16-16-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5DXXiX9i/2025-01-23_16-16-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5DRY6eG3/2025-01-23_16-16-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5DPprcfa/2025-01-23_16-16-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5HonwvyF/2025-01-23_16-16-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5FRHk95S/2025-01-23_16-16-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5C595wt7/2025-01-23_16-16-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2a4h/5GKH9FPP/5Gurm68i/2025-01-23_16-16-06/md_0_1.cpt" ]
10175 25e59649-2ea2-4ad8-bcea-4cedc47a7a13 1ppq 2025-01-23 14:41:33 2025-01-23 16:14:41 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppq/5GKH9FPP/2025-01-23_14-41-31/1ppq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppq/5GKH9FPP/2025-01-23_14-41-31/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppq/5GKH9FPP/2025-01-23_14-41-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ppq/5GKH9FPP/2025-01-23_14-41-31/1ppq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 225.58}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 225.58 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5D4pv1fQ/2025-01-23_16-14-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5Eji3erb/2025-01-23_16-14-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5EEwj36U/2025-01-23_16-14-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5H3NbTt2/2025-01-23_16-14-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5HGuQx5w/2025-01-23_16-14-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5EjRpczo/2025-01-23_16-14-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5FdvaRoH/2025-01-23_16-14-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5HmiiHdA/2025-01-23_16-15-00/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5F1boa8C/2025-01-23_16-15-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ppq/5GKH9FPP/5Do45VTZ/2025-01-23_16-15-01/md_0_1_old.cpt" ]
Showing items 121 to 140 of 10308 entries