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
14264 d4839a88-4e46-4870-8d81-25af558563df 2xxd 2025-01-29 12:59:06 2025-01-29 17:02:24 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2xxd/5F2CsUDV/2025-01-29_12-59-03/2xxd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2xxd/5F2CsUDV/2025-01-29_12-59-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2xxd/5F2CsUDV/2025-01-29_12-59-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2xxd/5F2CsUDV/2025-01-29_12-59-03/2xxd.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 345.1}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 345.1 }, "water": "charmm36/water.xml" }
 -24531.7930 2025-01-29 15:25:56 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5HN4zGAv/2025-01-29_17-02-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5G6mzcBY/2025-01-29_17-02-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5HTGnSe5/2025-01-29_17-02-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5GeqtuH4/2025-01-29_17-02-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5CY9apyj/2025-01-29_17-02-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5G9vwUF5/2025-01-29_17-02-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5EbgzxZd/2025-01-29_17-02-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5D8KgSsG/2025-01-29_17-02-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5DhPQXgo/2025-01-29_17-02-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2xxd/5F2CsUDV/5DFuo6i7/2025-01-29_17-02-44/md_0_1.cpt" ]
14261 78a67fc7-324e-44c9-9564-ac489e4e63d2 6fwt 2025-01-29 12:56:47 2025-01-29 14:35:16 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fwt/5Cg5QgjM/2025-01-29_12-56-46/6fwt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fwt/5Cg5QgjM/2025-01-29_12-56-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fwt/5Cg5QgjM/2025-01-29_12-56-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fwt/5Cg5QgjM/2025-01-29_12-56-46/6fwt.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 330.03}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 330.03 }, "water": "amber14/tip3pfb.xml" }
 -26473.4688 2025-01-29 13:35:50 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5HdfzvTF/2025-01-29_14-35-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5FF48AEJ/2025-01-29_14-35-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5G27Crdi/2025-01-29_14-35-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5GNeDT2Z/2025-01-29_14-35-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5Dce7pxY/2025-01-29_14-35-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5HmPbPUa/2025-01-29_14-35-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5DhhnQF1/2025-01-29_14-35-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5DsnAEMX/2025-01-29_14-35-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5CaPMXwr/2025-01-29_14-35-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fwt/5Cg5QgjM/5FkBB721/2025-01-29_14-35-20/md_0_1.cpt']
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14260 1d5d9a4c-e957-4856-8430-e5c20dc39102 1sfi 2025-01-29 12:56:39 2025-01-29 14:34:02 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sfi/5Cg5QgjM/2025-01-29_12-56-37/1sfi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sfi/5Cg5QgjM/2025-01-29_12-56-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sfi/5Cg5QgjM/2025-01-29_12-56-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1sfi/5Cg5QgjM/2025-01-29_12-56-37/1sfi.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 331.76}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 331.76 }, "water": "amber14/tip3pfb.xml" }
 -10625.0352 2025-01-29 13:34:41 600 5 1500 1.000000 5
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14259 cf7583d4-e35e-4506-8c05-91eeb9a30eaf 7jgy 2025-01-29 12:53:31 2025-01-29 14:32:59 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7jgy/5Cg5QgjM/2025-01-29_12-53-29/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7jgy/5Cg5QgjM/2025-01-29_12-53-29/7jgy.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 306.46}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 306.46 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kla/5Cg5QgjM/2025-01-29_12-52-43/3kla.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kla/5Cg5QgjM/2025-01-29_12-52-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kla/5Cg5QgjM/2025-01-29_12-52-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kla/5Cg5QgjM/2025-01-29_12-52-43/3kla.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 207.2}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 207.2 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8v/5Cg5QgjM/2025-01-29_12-50-39/2l8v.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8v/5Cg5QgjM/2025-01-29_12-50-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8v/5Cg5QgjM/2025-01-29_12-50-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l8v/5Cg5QgjM/2025-01-29_12-50-39/2l8v.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 397.11}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 397.11 }, "water": "charmm36/water.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tyn/5HYk8DMK/2025-01-29_12-49-25/6tyn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tyn/5HYk8DMK/2025-01-29_12-49-25/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tyn/5HYk8DMK/2025-01-29_12-49-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tyn/5HYk8DMK/2025-01-29_12-49-25/6tyn.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 392.28}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 392.28 }, "water": "amber14/tip3pfb.xml" }
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14255 5d2fd2dc-fe10-4308-ae78-dcb3a5f3d1cd 1pob 2025-01-29 12:46:07 2025-01-29 14:23:43 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5FFApaS7/2025-01-29_12-46-06/1pob.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5FFApaS7/2025-01-29_12-46-06/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5FFApaS7/2025-01-29_12-46-06/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5FFApaS7/2025-01-29_12-46-06/1pob.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 349.36}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 349.36 }, "water": "amber14/tip3pfb.xml" }
 -18550.2246 2025-01-29 13:37:49 600 5 1500 1.000000 5
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14254 135eb7ad-9e4d-43bf-aa42-f5387d53aa2b 1mdy 2025-01-29 12:45:25 2025-01-29 14:24:17 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mdy/5Cg5QgjM/2025-01-29_12-45-23/1mdy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mdy/5Cg5QgjM/2025-01-29_12-45-23/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mdy/5Cg5QgjM/2025-01-29_12-45-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mdy/5Cg5QgjM/2025-01-29_12-45-23/1mdy.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 254.92}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 254.92 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ak9/5Cg5QgjM/2025-01-29_12-44-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ak9/5Cg5QgjM/2025-01-29_12-44-14/1ak9.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 367.26}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 367.26 }, "water": "amber14/tip3pfb.xml" }
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14252 13df8c7a-3a2b-43b6-b52b-48b6bbfdabeb 2i1i 2025-01-29 12:41:41 2025-01-29 14:21:57 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2i1i/5FFApaS7/2025-01-29_12-41-41/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2i1i/5FFApaS7/2025-01-29_12-41-41/2i1i.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 338.35}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 338.35 }, "water": "charmm36/water.xml" }
 -1674.9611 2025-01-29 13:36:00 600 5 1500 1.000000 5
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14251 1e2abdbd-29dd-4886-a834-ed02a25f70e8 8uxr 2025-01-29 12:37:04 2025-01-29 15:17:10 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uxr/5GKH9FPP/2025-01-29_12-37-03/8uxr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uxr/5GKH9FPP/2025-01-29_12-37-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uxr/5GKH9FPP/2025-01-29_12-37-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8uxr/5GKH9FPP/2025-01-29_12-37-03/8uxr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 256.38}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 256.38 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 280.7}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 280.7 }, "water": "amber14/tip3pfb.xml" }
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 350.44}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 350.44 }, "water": "amber14/tip3pfb.xml" }
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14248 526f65dc-76e9-471d-955e-ce432f183d5e 6x1k 2025-01-29 12:34:29 2025-01-29 14:41:43 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM
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{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 215.31}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 215.31 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z7r/5Cg5QgjM/2025-01-29_12-23-00/1z7r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z7r/5Cg5QgjM/2025-01-29_12-23-00/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z7r/5Cg5QgjM/2025-01-29_12-23-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z7r/5Cg5QgjM/2025-01-29_12-23-00/1z7r.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 285.33}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 285.33 }, "water": "charmm36/water.xml" }
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14246 6d87b9fe-1227-40e7-8dde-96cccb581202 1dzr 2025-01-29 12:15:48 2025-01-29 14:03:20 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dzr/5Cg5QgjM/2025-01-29_12-15-46/1dzr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dzr/5Cg5QgjM/2025-01-29_12-15-46/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dzr/5Cg5QgjM/2025-01-29_12-15-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dzr/5Cg5QgjM/2025-01-29_12-15-46/1dzr.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 280.33}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 280.33 }, "water": "amber14/tip3pfb.xml" }
 -26630.1113 2025-01-29 13:20:57 600 5 1500 1.000000 5
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14245 06b338e5-1586-4f5a-a521-fd0ba83298b8 1qkd 2025-01-29 12:11:50 2025-01-29 15:44:26 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qkd/5F2CsUDV/2025-01-29_12-11-48/1qkd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qkd/5F2CsUDV/2025-01-29_12-11-48/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qkd/5F2CsUDV/2025-01-29_12-11-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qkd/5F2CsUDV/2025-01-29_12-11-48/1qkd.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 318.33}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 318.33 }, "water": "charmm36/water.xml" }
 -5925.1455 2025-01-29 13:30:35 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5HTmcwCy/2025-01-29_15-44-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5HdRGSwc/2025-01-29_15-44-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5H1PLX45/2025-01-29_15-44-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5CAz8emp/2025-01-29_15-44-37/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5DRY6eG3/2025-01-29_15-44-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5C5mW9ze/2025-01-29_15-44-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5HpDuDJb/2025-01-29_15-44-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5CaUeYYY/2025-01-29_15-44-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5CkkTeB4/2025-01-29_15-44-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qkd/5F2CsUDV/5F6bUfiS/2025-01-29_15-44-45/md_0_1_old.cpt" ]
14244 7aec223a-0f78-4130-93a5-c000c735ccf5 2owy 2025-01-29 12:10:38 2025-01-29 15:13:45 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2owy/5GKH9FPP/2025-01-29_12-10-36/2owy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2owy/5GKH9FPP/2025-01-29_12-10-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2owy/5GKH9FPP/2025-01-29_12-10-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2owy/5GKH9FPP/2025-01-29_12-10-36/2owy.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 252.72}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 252.72 }, "water": "charmm36/water.xml" }
 -43259.7148 2025-01-29 14:27:45 600 6 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5DkvT79z/2025-01-29_15-13-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5DU7YwrR/2025-01-29_15-14-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5EsKXx7M/2025-01-29_15-14-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5FZoGG7x/2025-01-29_15-14-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5F7eRZaJ/2025-01-29_15-14-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5DUmNo3Q/2025-01-29_15-14-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5Gbc1Dzo/2025-01-29_15-14-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5CkvSoEP/2025-01-29_15-14-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5Cfkokas/2025-01-29_15-14-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2owy/5GKH9FPP/5FkBB721/2025-01-29_15-14-24/md_0_1.cpt" ]
14243 b50d9450-04d1-49c3-ae24-773dd028eff4 3kxn 2025-01-29 12:09:41 2025-01-29 15:40:12 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kxn/5F2CsUDV/2025-01-29_12-09-39/3kxn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kxn/5F2CsUDV/2025-01-29_12-09-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kxn/5F2CsUDV/2025-01-29_12-09-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kxn/5F2CsUDV/2025-01-29_12-09-39/3kxn.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 232.59}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 232.59 }, "water": "charmm36/water.xml" }
 -31724.8457 2025-01-29 13:25:37 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5CSqSvkr/2025-01-29_15-40-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5FNEiDZG/2025-01-29_15-40-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5FqatghH/2025-01-29_15-40-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5FFZBVP6/2025-01-29_15-40-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5FZoGG7x/2025-01-29_15-40-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5CJmAajh/2025-01-29_15-40-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5DPprcfa/2025-01-29_15-40-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5EsK8GE1/2025-01-29_15-40-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5Ca47zJP/2025-01-29_15-40-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kxn/5F2CsUDV/5DAAjjm6/2025-01-29_15-40-23/md_0_1.cpt" ]
Showing items 581 to 600 of 14842 entries