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
1195 e63c81b3-9d02-40e6-ab08-5c596b9ee36b 5uvb 2025-01-11 19:33:36 2025-01-11 22:55:43 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s
['5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd', '5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4']
[ "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd", "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5uvb/5HEo565W/2025-01-11_19-33-36/5uvb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5uvb/5HEo565W/2025-01-11_19-33-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5uvb/5HEo565W/2025-01-11_19-33-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5uvb/5HEo565W/2025-01-11_19-33-36/5uvb.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 318.71}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 318.71 }, "water": "charmm36/water.xml" }
 -27799.4199 2025-01-11 21:13:59 600 4 1500 1.000000 5
['']
[ "" ]
1194 107f28b6-3d51-4050-84ab-765de47b4a45 3a3q 2025-01-11 19:31:02 2025-01-11 21:32:59 1 Yes No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn
['5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5EPdShgZxXW19S6WLzbP9ZuJKGkFpaKyHgMZ83Wndfg74jtu', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96']
[ "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5EPdShgZxXW19S6WLzbP9ZuJKGkFpaKyHgMZ83Wndfg74jtu", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a3q/5FFApaS7/2025-01-11_19-31-01/3a3q.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a3q/5FFApaS7/2025-01-11_19-31-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a3q/5FFApaS7/2025-01-11_19-31-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a3q/5FFApaS7/2025-01-11_19-31-01/3a3q.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 240.29}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 240.29 }, "water": "amber14/tip3pfb.xml" }
 -14624.9961 2025-01-11 20:10:38 600 4 1500 1.000000 5
['']
[ "" ]
1193 69dd2a90-0448-4378-81ce-fdaf93d5fa2a 6gwx 2025-01-11 19:26:39 2025-01-11 22:50:37 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og
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[ "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY", "5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gwx/5HEo565W/2025-01-11_19-26-38/6gwx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gwx/5HEo565W/2025-01-11_19-26-38/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gwx/5HEo565W/2025-01-11_19-26-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gwx/5HEo565W/2025-01-11_19-26-38/6gwx.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 359.6}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 359.6 }, "water": "amber14/tip3pfb.xml" }
 -1366.4409 2025-01-11 21:08:53 600 4 1500 1.000000 5
['']
[ "" ]
1192 f39c8449-d449-4ba5-8ea0-56cc86cdaaaa 1c8a 2025-01-11 19:25:40 2025-01-11 21:16:14 1 Yes No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk
['5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5C8dR6A6afdBga8D12qLHpczr2yYjKPctotQxTm5a76kUzYX', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722']
[ "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5C8dR6A6afdBga8D12qLHpczr2yYjKPctotQxTm5a76kUzYX", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c8a/5HYk8DMK/2025-01-11_19-25-39/1c8a.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c8a/5HYk8DMK/2025-01-11_19-25-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c8a/5HYk8DMK/2025-01-11_19-25-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c8a/5HYk8DMK/2025-01-11_19-25-39/1c8a.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 392.9}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 392.9 }, "water": "amber14/tip3pfb.xml" }
 -7864.3955 2025-01-11 20:43:35 600 4 1500 1.000000 5
['']
[ "" ]
1191 e0f898dd-4c06-4242-a75a-ea582af29236 4q3b 2025-01-11 19:25:01 2025-01-11 21:32:19 1 Yes No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t
['5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG']
[ "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4q3b/5FFApaS7/2025-01-11_19-25-00/4q3b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4q3b/5FFApaS7/2025-01-11_19-25-00/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4q3b/5FFApaS7/2025-01-11_19-25-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4q3b/5FFApaS7/2025-01-11_19-25-00/4q3b.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 375.21}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.98, "temperature": 375.21 }, "water": "amber14/spce.xml" }
 -95957.3984 2025-01-11 21:12:03 600 4 1500 1.000000 5
['']
[ "" ]
1189 35b830eb-c678-4dd6-a2b5-17d91f90cff1 1ts3 2025-01-11 19:19:07 2025-01-11 21:15:43 1 Yes No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP
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[ "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5FLhRCxnf3rxzcHzjKiAnWnUtbrcD1baebHUZKY2MYtXE8sh", "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ts3/5HYk8DMK/2025-01-11_19-19-05/1ts3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ts3/5HYk8DMK/2025-01-11_19-19-05/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ts3/5HYk8DMK/2025-01-11_19-19-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ts3/5HYk8DMK/2025-01-11_19-19-05/1ts3.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 235.07}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 235.07 }, "water": "amber14/tip3pfb.xml" }
 -51868.1797 2025-01-11 20:43:03 600 4 1500 1.000000 5
['']
[ "" ]
1184 0d08aec1-5824-4b8a-acd2-01431350265d 3n1n 2025-01-11 19:15:12 2025-01-11 21:16:07 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3n1n/5Cg5QgjM/2025-01-11_19-15-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3n1n/5Cg5QgjM/2025-01-11_19-15-10/3n1n.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 217.54}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 217.54 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1p0l/5HYk8DMK/2025-01-11_19-13-51/1p0l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1p0l/5HYk8DMK/2025-01-11_19-13-51/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1p0l/5HYk8DMK/2025-01-11_19-13-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1p0l/5HYk8DMK/2025-01-11_19-13-51/1p0l.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/opc.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 249.37}}
{ "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.92, "temperature": 249.37 }, "water": "amber14/opc.xml" }
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['']
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pht/5Cg5QgjM/2025-01-11_19-05-30/7pht.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pht/5Cg5QgjM/2025-01-11_19-05-30/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pht/5Cg5QgjM/2025-01-11_19-05-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pht/5Cg5QgjM/2025-01-11_19-05-30/7pht.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 213.34}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 213.34 }, "water": "amber14/tip3pfb.xml" }
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e3g/5Cg5QgjM/2025-01-11_19-05-17/2e3g.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e3g/5Cg5QgjM/2025-01-11_19-05-17/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e3g/5Cg5QgjM/2025-01-11_19-05-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2e3g/5Cg5QgjM/2025-01-11_19-05-17/2e3g.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 207.5}}
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l11/5CzFiYvB/2025-01-11_19-00-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l11/5CzFiYvB/2025-01-11_19-00-24/1l11.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 315.72}}
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{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 353.89}}
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5F4tQyWr/2025-01-11_18-59-12/7fcw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5F4tQyWr/2025-01-11_18-59-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5F4tQyWr/2025-01-11_18-59-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7fcw/5F4tQyWr/2025-01-11_18-59-12/7fcw.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 359.1}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 359.1 }, "water": "charmm36/water.xml" }
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1177 9ec38d4b-9c91-4865-9b36-84b663dd8e2c 4yjf 2025-01-11 18:55:24 2025-01-11 21:14:36 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4yjf/5Cg5QgjM/2025-01-11_18-55-22/4yjf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4yjf/5Cg5QgjM/2025-01-11_18-55-22/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4yjf/5Cg5QgjM/2025-01-11_18-55-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4yjf/5Cg5QgjM/2025-01-11_18-55-22/4yjf.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 201.95}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 201.95 }, "water": "charmm36/water.xml" }
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1150 f2dbdfcf-a276-433a-98f2-993d373381a2 7ykp 2025-01-11 18:49:10 2025-01-11 20:32:41 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ykp/5F4tQyWr/2025-01-11_18-49-09/7ykp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ykp/5F4tQyWr/2025-01-11_18-49-09/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ykp/5F4tQyWr/2025-01-11_18-49-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ykp/5F4tQyWr/2025-01-11_18-49-09/7ykp.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 372.88}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 372.88 }, "water": "charmm36/water.xml" }
 -15509.0840 2025-01-11 19:30:28 600 4 1500 1.000000 5
['']
[ "" ]
1176 5bde7823-0dd2-4ea2-95bf-6a086486db58 4mds 2025-01-11 18:46:45 2025-01-11 22:23:56 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mds/5F2CsUDV/2025-01-11_18-46-43/4mds.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mds/5F2CsUDV/2025-01-11_18-46-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mds/5F2CsUDV/2025-01-11_18-46-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4mds/5F2CsUDV/2025-01-11_18-46-43/4mds.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 297.84}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 297.84 }, "water": "charmm36/water.xml" }
 -12320.7764 2025-01-11 19:55:00 600 4 1500 1.000000 5
['']
[ "" ]
1175 bd089df1-2e2b-4ba4-97a8-6e4bb5da6d8c 1x70 2025-01-11 18:46:45 2025-01-12 16:34:45 1 Yes No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x70/5CzFiYvB/2025-01-11_18-46-43/1x70.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x70/5CzFiYvB/2025-01-11_18-46-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x70/5CzFiYvB/2025-01-11_18-46-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x70/5CzFiYvB/2025-01-11_18-46-43/1x70.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 358.37}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 358.37 }, "water": "amber14/tip3pfb.xml" }
 -89552.5469 2025-01-12 15:54:45 600 4 1500 1.000000 5
['']
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1144 d0fc0742-f517-4531-9a47-ac4a8e502d2f 8eo9 2025-01-11 18:43:57 2025-01-11 20:31:07 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8eo9/5F4tQyWr/2025-01-11_18-43-55/8eo9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8eo9/5F4tQyWr/2025-01-11_18-43-55/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8eo9/5F4tQyWr/2025-01-11_18-43-55/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8eo9/5F4tQyWr/2025-01-11_18-43-55/8eo9.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 217.77}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 217.77 }, "water": "amber14/tip3pfb.xml" }
 -15316.3564 2025-01-11 19:28:46 600 4 1500 1.000000 5
['']
[ "" ]
1174 b855eeea-ca9f-4685-8825-36bf3ccb0360 2kts 2025-01-11 18:41:30 2025-01-11 20:26:45 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kts/5Cg5QgjM/2025-01-11_18-41-28/2kts.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kts/5Cg5QgjM/2025-01-11_18-41-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kts/5Cg5QgjM/2025-01-11_18-41-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kts/5Cg5QgjM/2025-01-11_18-41-28/2kts.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 382.5}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 382.5 }, "water": "charmm36/water.xml" }
 -5792.2178 2025-01-11 19:22:09 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5DXvZ6kW/2025-01-11_20-26-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5G9u1Nxk/2025-01-11_20-26-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5FKxjBGc/2025-01-11_20-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5EycN1NE/2025-01-11_20-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5HNjFXXT/2025-01-11_20-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GbrDsYK/2025-01-11_20-26-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GpLy7r1/2025-01-11_20-26-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GGb3rhZ/2025-01-11_20-26-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5FFZBVP6/2025-01-11_20-26-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GNeDT2Z/2025-01-11_20-26-56/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5DXvZ6kW/2025-01-11_20-26-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5G9u1Nxk/2025-01-11_20-26-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5FKxjBGc/2025-01-11_20-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5EycN1NE/2025-01-11_20-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5HNjFXXT/2025-01-11_20-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GbrDsYK/2025-01-11_20-26-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GpLy7r1/2025-01-11_20-26-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GGb3rhZ/2025-01-11_20-26-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5FFZBVP6/2025-01-11_20-26-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2kts/5Cg5QgjM/5GNeDT2Z/2025-01-11_20-26-56/md_0_1.cpt" ]
Showing items 14581 to 14600 of 15770 entries