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
14717 456407d4-5124-4b73-80a6-c03b5b7bb96e 2l0o 2025-01-30 05:16:44 2025-01-30 08:17:13 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr
['5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy']
[ "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l0o/5FFApaS7/2025-01-30_05-16-44/2l0o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l0o/5FFApaS7/2025-01-30_05-16-44/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l0o/5FFApaS7/2025-01-30_05-16-44/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l0o/5FFApaS7/2025-01-30_05-16-44/2l0o.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip3p.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 300.86}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.9, "temperature": 300.86 }, "water": "amber14/tip3p.xml" }
 -3289.1782 2025-01-30 06:30:25 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5DcKLuwD/2025-01-30_08-17-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5DAAjjm6/2025-01-30_08-17-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HN4zGAv/2025-01-30_08-17-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5ELBjjiT/2025-01-30_08-17-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HTGnSe5/2025-01-30_08-17-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5CoEdgdk/2025-01-30_08-17-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5C4xDki7/2025-01-30_08-17-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HpDuDJb/2025-01-30_08-17-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HQV4JrB/2025-01-30_08-17-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5Eq9hKu9/2025-01-30_08-17-28/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5DcKLuwD/2025-01-30_08-17-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5DAAjjm6/2025-01-30_08-17-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HN4zGAv/2025-01-30_08-17-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5ELBjjiT/2025-01-30_08-17-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HTGnSe5/2025-01-30_08-17-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5CoEdgdk/2025-01-30_08-17-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5C4xDki7/2025-01-30_08-17-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HpDuDJb/2025-01-30_08-17-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5HQV4JrB/2025-01-30_08-17-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2l0o/5FFApaS7/5Eq9hKu9/2025-01-30_08-17-28/md_0_1.cpt" ]
14695 65fe9125-31f1-40bf-994a-27bb9ef764a5 1wr7 2025-01-30 05:16:02 2025-01-30 07:09:24 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4
['5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE']
[ "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wr7/5F4tQyWr/2025-01-30_05-16-01/1wr7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wr7/5F4tQyWr/2025-01-30_05-16-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wr7/5F4tQyWr/2025-01-30_05-16-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wr7/5F4tQyWr/2025-01-30_05-16-01/1wr7.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 388.11}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 388.11 }, "water": "amber14/tip3pfb.xml" }
 -3033.0542 2025-01-30 06:17:57 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5CMEJjrh/2025-01-30_07-09-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5FLh1jsy/2025-01-30_07-09-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5DndzPQR/2025-01-30_07-09-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5GGb3rhZ/2025-01-30_07-09-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5HYficC7/2025-01-30_07-09-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5ESEfcCx/2025-01-30_07-09-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5Eq9hKu9/2025-01-30_07-09-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5FRnnfyx/2025-01-30_07-09-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5ELBjjiT/2025-01-30_07-09-36/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5Eh1ZgyG/2025-01-30_07-09-36/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5CMEJjrh/2025-01-30_07-09-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5FLh1jsy/2025-01-30_07-09-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5DndzPQR/2025-01-30_07-09-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5GGb3rhZ/2025-01-30_07-09-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5HYficC7/2025-01-30_07-09-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5ESEfcCx/2025-01-30_07-09-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5Eq9hKu9/2025-01-30_07-09-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5FRnnfyx/2025-01-30_07-09-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5ELBjjiT/2025-01-30_07-09-36/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wr7/5F4tQyWr/5Eh1ZgyG/2025-01-30_07-09-36/md_0_1_old.cpt" ]
14693 a77e4ab2-2d50-461d-89f7-f3b7729c00ce 1r8o 2025-01-30 05:13:07 2025-01-30 07:08:53 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w
['5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm']
[ "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8o/5F4tQyWr/2025-01-30_05-13-05/1r8o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8o/5F4tQyWr/2025-01-30_05-13-05/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8o/5F4tQyWr/2025-01-30_05-13-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8o/5F4tQyWr/2025-01-30_05-13-05/1r8o.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 362.92}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 362.92 }, "water": "amber14/tip3pfb.xml" }
 -8313.7227 2025-01-30 06:16:55 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GEhtD5B/2025-01-30_07-09-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GbtQBrz/2025-01-30_07-09-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5HpCxvH5/2025-01-30_07-09-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5DUmNo3Q/2025-01-30_07-09-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5ES6G8x2/2025-01-30_07-09-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5H5wXPTT/2025-01-30_07-09-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GutyMJ2/2025-01-30_07-09-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GHdVT5q/2025-01-30_07-09-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5EhomZa6/2025-01-30_07-09-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5CV8vqhD/2025-01-30_07-09-03/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GEhtD5B/2025-01-30_07-09-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GbtQBrz/2025-01-30_07-09-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5HpCxvH5/2025-01-30_07-09-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5DUmNo3Q/2025-01-30_07-09-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5ES6G8x2/2025-01-30_07-09-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5H5wXPTT/2025-01-30_07-09-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GutyMJ2/2025-01-30_07-09-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5GHdVT5q/2025-01-30_07-09-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5EhomZa6/2025-01-30_07-09-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8o/5F4tQyWr/5CV8vqhD/2025-01-30_07-09-03/md_0_1.cpt" ]
14716 fd78147a-2d11-43d9-a83b-274ce91e619a 1oex 2025-01-30 05:12:36 2025-01-30 08:15:48 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt
['5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ']
[ "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oex/5FFApaS7/2025-01-30_05-12-35/1oex.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oex/5FFApaS7/2025-01-30_05-12-35/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oex/5FFApaS7/2025-01-30_05-12-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1oex/5FFApaS7/2025-01-30_05-12-35/1oex.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/spce.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 397.72}}
{ "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.9, "temperature": 397.72 }, "water": "amber14/spce.xml" }
 -21126.6348 2025-01-30 06:29:17 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5EZJCvUK/2025-01-30_08-15-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5DhPQXgo/2025-01-30_08-16-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5DXiys3z/2025-01-30_08-16-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5GutyMJ2/2025-01-30_08-16-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5EcFV1Tp/2025-01-30_08-16-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5CkzwPiq/2025-01-30_08-16-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5CHpNaFM/2025-01-30_08-16-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5E2VPvK2/2025-01-30_08-16-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5GeHm4rw/2025-01-30_08-16-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5DEyuVfF/2025-01-30_08-16-08/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5EZJCvUK/2025-01-30_08-15-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5DhPQXgo/2025-01-30_08-16-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5DXiys3z/2025-01-30_08-16-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5GutyMJ2/2025-01-30_08-16-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5EcFV1Tp/2025-01-30_08-16-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5CkzwPiq/2025-01-30_08-16-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5CHpNaFM/2025-01-30_08-16-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5E2VPvK2/2025-01-30_08-16-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5GeHm4rw/2025-01-30_08-16-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1oex/5FFApaS7/5DEyuVfF/2025-01-30_08-16-08/md_0_1.cpt" ]
14715 5ef9fe54-f783-443c-8757-4a72b929d95b 1n0r 2025-01-30 05:09:41 2025-01-30 08:14:43 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC
['5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC']
[ "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1n0r/5F2CsUDV/2025-01-30_05-09-38/1n0r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1n0r/5F2CsUDV/2025-01-30_05-09-38/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1n0r/5F2CsUDV/2025-01-30_05-09-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1n0r/5F2CsUDV/2025-01-30_05-09-38/1n0r.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 286.36}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 286.36 }, "water": "amber14/tip3pfb.xml" }
 -13600.3779 2025-01-30 06:21:19 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5EUX8Kuc/2025-01-30_08-14-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5HR74jwT/2025-01-30_08-14-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5Gy8GULq/2025-01-30_08-14-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5CJmAajh/2025-01-30_08-14-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5EsKXx7M/2025-01-30_08-14-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5GrmnoWJ/2025-01-30_08-14-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5DkvT79z/2025-01-30_08-14-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5Do45VTZ/2025-01-30_08-14-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5GxgkVRW/2025-01-30_08-14-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5C595wt7/2025-01-30_08-14-53/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5EUX8Kuc/2025-01-30_08-14-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5HR74jwT/2025-01-30_08-14-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5Gy8GULq/2025-01-30_08-14-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5CJmAajh/2025-01-30_08-14-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5EsKXx7M/2025-01-30_08-14-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5GrmnoWJ/2025-01-30_08-14-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5DkvT79z/2025-01-30_08-14-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5Do45VTZ/2025-01-30_08-14-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5GxgkVRW/2025-01-30_08-14-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1n0r/5F2CsUDV/5C595wt7/2025-01-30_08-14-53/md_0_1.cpt" ]
14713 b554daee-c1ab-48d6-ad36-cc61a8e4e78f 1lje 2025-01-30 05:06:54 2025-01-30 08:45:01 1 No No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL
['5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA', '5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL']
[ "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1lje/5HEo565W/2025-01-30_05-06-54/1lje.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1lje/5HEo565W/2025-01-30_05-06-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1lje/5HEo565W/2025-01-30_05-06-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1lje/5HEo565W/2025-01-30_05-06-54/1lje.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip3p.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 252.46}}
{ "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.01, "temperature": 252.46 }, "water": "amber14/tip3p.xml" }
 -51531.6719 2025-01-30 06:35:31 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5Dc8cxYU/2025-01-30_08-45-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5EWQ8WQh/2025-01-30_08-45-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5GR4rEwj/2025-01-30_08-45-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5EycN1NE/2025-01-30_08-45-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5HR74jwT/2025-01-30_08-45-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5D2utUte/2025-01-30_08-45-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5HGZLfCa/2025-01-30_08-45-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5Eh1ZgyG/2025-01-30_08-45-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5E2VPvK2/2025-01-30_08-45-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5Fs8ex9e/2025-01-30_08-45-07/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5Dc8cxYU/2025-01-30_08-45-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5EWQ8WQh/2025-01-30_08-45-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5GR4rEwj/2025-01-30_08-45-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5EycN1NE/2025-01-30_08-45-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5HR74jwT/2025-01-30_08-45-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5D2utUte/2025-01-30_08-45-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5HGZLfCa/2025-01-30_08-45-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5Eh1ZgyG/2025-01-30_08-45-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5E2VPvK2/2025-01-30_08-45-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1lje/5HEo565W/5Fs8ex9e/2025-01-30_08-45-07/md_0_1.cpt" ]
14711 3f19bc3b-6830-449a-898f-cbe7f73e0c23 2n7p 2025-01-30 05:01:57 2025-01-30 06:55:30 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE
['5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx', '5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2']
[ "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx", "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7p/5HYk8DMK/2025-01-30_05-01-55/2n7p.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7p/5HYk8DMK/2025-01-30_05-01-55/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7p/5HYk8DMK/2025-01-30_05-01-55/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n7p/5HYk8DMK/2025-01-30_05-01-55/2n7p.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 204.78}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 204.78 }, "water": "charmm36/water.xml" }
 -7515.3735 2025-01-30 06:02:32 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5FFFNMin/2025-01-30_06-55-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HmPbPUa/2025-01-30_06-55-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5D8JdLSr/2025-01-30_06-55-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HbgRnCL/2025-01-30_06-55-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HGuQx5w/2025-01-30_06-55-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5D4pv1fQ/2025-01-30_06-55-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5GeqtuH4/2025-01-30_06-55-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5FeeZzWZ/2025-01-30_06-55-45/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HGrqUKc/2025-01-30_06-55-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5Gx3DkGG/2025-01-30_06-55-46/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5FFFNMin/2025-01-30_06-55-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HmPbPUa/2025-01-30_06-55-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5D8JdLSr/2025-01-30_06-55-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HbgRnCL/2025-01-30_06-55-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HGuQx5w/2025-01-30_06-55-41/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5D4pv1fQ/2025-01-30_06-55-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5GeqtuH4/2025-01-30_06-55-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5FeeZzWZ/2025-01-30_06-55-45/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5HGrqUKc/2025-01-30_06-55-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n7p/5HYk8DMK/5Gx3DkGG/2025-01-30_06-55-46/md_0_1.cpt" ]
14710 24bf931c-74ec-4be6-829f-c8756ca53bfc 7g06 2025-01-30 05:00:19 2025-01-30 06:12:07 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC
['5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh']
[ "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7g06/5CzFiYvB/2025-01-30_05-00-17/7g06.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7g06/5CzFiYvB/2025-01-30_05-00-17/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7g06/5CzFiYvB/2025-01-30_05-00-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7g06/5CzFiYvB/2025-01-30_05-00-17/7g06.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 378.4}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 378.4 }, "water": "amber14/tip3pfb.xml" }
 -10924.5859 2025-01-30 05:38:03 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5FWYXGNx/2025-01-30_06-12-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5EyWujpT/2025-01-30_06-12-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5E4Eu5KB/2025-01-30_06-12-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5DkvT79z/2025-01-30_06-12-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5E4Sun3n/2025-01-30_06-12-14/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5FWYXGNx/2025-01-30_06-12-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5EyWujpT/2025-01-30_06-12-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5E4Eu5KB/2025-01-30_06-12-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5DkvT79z/2025-01-30_06-12-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7g06/5CzFiYvB/5E4Sun3n/2025-01-30_06-12-14/md_0_1.cpt" ]
14709 afe9bbcf-70cf-4e80-a541-4b6bdc2feed9 7rtp 2025-01-30 04:58:55 2025-01-30 06:11:37 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY
['5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ']
[ "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rtp/5CzFiYvB/2025-01-30_04-56-14/7rtp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rtp/5CzFiYvB/2025-01-30_04-56-14/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rtp/5CzFiYvB/2025-01-30_04-56-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rtp/5CzFiYvB/2025-01-30_04-56-14/7rtp.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 292.09}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 292.09 }, "water": "amber14/tip3pfb.xml" }
 -33159.3828 2025-01-30 05:44:35 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5CY9apyj/2025-01-30_06-11-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5CZtKjxZ/2025-01-30_06-11-43/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5EhxUCpu/2025-01-30_06-11-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5EUX8Kuc/2025-01-30_06-11-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5FdvaRoH/2025-01-30_06-11-44/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5CY9apyj/2025-01-30_06-11-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5CZtKjxZ/2025-01-30_06-11-43/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5EhxUCpu/2025-01-30_06-11-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5EUX8Kuc/2025-01-30_06-11-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rtp/5CzFiYvB/5FdvaRoH/2025-01-30_06-11-44/md_0_1.cpt" ]
14708 2b1e4008-aba3-44a3-ab17-333360cfb0d7 8cjt 2025-01-30 04:55:02 2025-01-30 06:50:54 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c
['5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE', '5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u']
[ "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE", "5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cjt/5HYk8DMK/2025-01-30_04-55-01/8cjt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cjt/5HYk8DMK/2025-01-30_04-55-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cjt/5HYk8DMK/2025-01-30_04-55-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cjt/5HYk8DMK/2025-01-30_04-55-01/8cjt.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 373.74}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 373.74 }, "water": "amber14/tip3pfb.xml" }
 -1919.2504 2025-01-30 05:58:06 600 5 1500 1.000000 5
['', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5FBis2fY/2025-01-30_06-50-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5GvDM9XH/2025-01-30_06-51-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5HotM239/2025-01-30_06-51-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5HNjFXXT/2025-01-30_06-51-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5GEhtD5B/2025-01-30_06-51-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5CMEJjrh/2025-01-30_06-51-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5DU7YwrR/2025-01-30_06-51-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5EWwHneX/2025-01-30_06-51-09/md_0_1.cpt']
[ "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5FBis2fY/2025-01-30_06-50-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5GvDM9XH/2025-01-30_06-51-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5HotM239/2025-01-30_06-51-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5HNjFXXT/2025-01-30_06-51-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5GEhtD5B/2025-01-30_06-51-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5CMEJjrh/2025-01-30_06-51-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5DU7YwrR/2025-01-30_06-51-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cjt/5HYk8DMK/5EWwHneX/2025-01-30_06-51-09/md_0_1.cpt" ]
14707 7d7bb034-d6d0-4dbc-a83d-eb6128172aae 1ax3 2025-01-30 04:49:54 2025-01-30 06:49:02 1 No No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY
['5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz']
[ "5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ax3/5HYk8DMK/2025-01-30_04-49-53/1ax3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ax3/5HYk8DMK/2025-01-30_04-49-53/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ax3/5HYk8DMK/2025-01-30_04-49-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ax3/5HYk8DMK/2025-01-30_04-49-53/1ax3.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 226.47}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 226.47 }, "water": "amber14/tip3pfb.xml" }
 -8544.6436 2025-01-30 05:57:12 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5HeMZXU8/2025-01-30_06-49-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5EcFV1Tp/2025-01-30_06-49-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5DhhnQF1/2025-01-30_06-49-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5GHdVT5q/2025-01-30_06-49-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CX1t6qK/2025-01-30_06-49-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CMHnFiW/2025-01-30_06-49-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5DRY6eG3/2025-01-30_06-49-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CY9apyj/2025-01-30_06-49-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5Do45VTZ/2025-01-30_06-49-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CaUeYYY/2025-01-30_06-49-11/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5HeMZXU8/2025-01-30_06-49-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5EcFV1Tp/2025-01-30_06-49-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5DhhnQF1/2025-01-30_06-49-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5GHdVT5q/2025-01-30_06-49-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CX1t6qK/2025-01-30_06-49-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CMHnFiW/2025-01-30_06-49-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5DRY6eG3/2025-01-30_06-49-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CY9apyj/2025-01-30_06-49-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5Do45VTZ/2025-01-30_06-49-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ax3/5HYk8DMK/5CaUeYYY/2025-01-30_06-49-11/md_0_1_old.cpt" ]
14706 9a604ff3-40a7-4155-88b2-07cf194031e6 1isa 2025-01-30 04:46:03 2025-01-30 07:39:24 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE
['5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML']
[ "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1isa/5F2CsUDV/2025-01-30_04-46-01/1isa.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1isa/5F2CsUDV/2025-01-30_04-46-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1isa/5F2CsUDV/2025-01-30_04-46-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1isa/5F2CsUDV/2025-01-30_04-46-01/1isa.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 225.63}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 225.63 }, "water": "charmm36/water.xml" }
 -5756.0762 2025-01-30 06:20:19 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5DvtSoBC/2025-01-30_07-39-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5HTmcwCy/2025-01-30_07-39-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5CULginL/2025-01-30_07-39-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5EyWAbu3/2025-01-30_07-39-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5DsnAEMX/2025-01-30_07-39-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5GutyMJ2/2025-01-30_07-39-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5HpDuDJb/2025-01-30_07-39-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5CouGodv/2025-01-30_07-39-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5HHActHD/2025-01-30_07-39-35/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5FZEixsS/2025-01-30_07-39-36/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5DvtSoBC/2025-01-30_07-39-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5HTmcwCy/2025-01-30_07-39-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5CULginL/2025-01-30_07-39-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5EyWAbu3/2025-01-30_07-39-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5DsnAEMX/2025-01-30_07-39-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5GutyMJ2/2025-01-30_07-39-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5HpDuDJb/2025-01-30_07-39-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5CouGodv/2025-01-30_07-39-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5HHActHD/2025-01-30_07-39-35/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1isa/5F2CsUDV/5FZEixsS/2025-01-30_07-39-36/md_0_1.cpt" ]
14670 780fbe12-67a7-4a95-95a2-a11636109162 1vc9 2025-01-30 04:44:13 2025-01-30 06:59:50 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi
['5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg']
[ "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vc9/5F4tQyWr/2025-01-30_04-44-11/1vc9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vc9/5F4tQyWr/2025-01-30_04-44-11/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vc9/5F4tQyWr/2025-01-30_04-44-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vc9/5F4tQyWr/2025-01-30_04-44-11/1vc9.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 323.06}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 323.06 }, "water": "charmm36/water.xml" }
 -17649.9023 2025-01-30 05:52:45 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5GrmnoWJ/2025-01-30_06-59-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5F4Vi7rw/2025-01-30_06-59-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5DAAjjm6/2025-01-30_07-00-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5Fuos1nD/2025-01-30_07-00-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5F1boa8C/2025-01-30_07-00-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5CiGhHrn/2025-01-30_07-00-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5HTmcwCy/2025-01-30_07-00-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5GYVQABL/2025-01-30_07-00-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5HQV4JrB/2025-01-30_07-00-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5Gdn7dSR/2025-01-30_07-00-11/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5GrmnoWJ/2025-01-30_06-59-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5F4Vi7rw/2025-01-30_06-59-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5DAAjjm6/2025-01-30_07-00-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5Fuos1nD/2025-01-30_07-00-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5F1boa8C/2025-01-30_07-00-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5CiGhHrn/2025-01-30_07-00-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5HTmcwCy/2025-01-30_07-00-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5GYVQABL/2025-01-30_07-00-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5HQV4JrB/2025-01-30_07-00-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1vc9/5F4tQyWr/5Gdn7dSR/2025-01-30_07-00-11/md_0_1.cpt" ]
14705 2de48447-8d94-4527-942b-9fa24127a66a 2jnz 2025-01-30 04:41:11 2025-01-30 08:05:51 1 No No 5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1 5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac
['5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds', '5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8']
[ "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds", "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jnz/5GKH9FPP/2025-01-30_04-41-09/2jnz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jnz/5GKH9FPP/2025-01-30_04-41-09/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jnz/5GKH9FPP/2025-01-30_04-41-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jnz/5GKH9FPP/2025-01-30_04-41-09/2jnz.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 229.21}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 229.21 }, "water": "amber14/tip3pfb.xml" }
 -9656.0400 2025-01-30 06:52:03 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5GrzLRi3/2025-01-30_08-05-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5HGrqUKc/2025-01-30_08-06-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5E2VPvK2/2025-01-30_08-06-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5GR4rEwj/2025-01-30_08-06-00/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5EycN1NE/2025-01-30_08-06-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5DsnAEMX/2025-01-30_08-06-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5EhxUCpu/2025-01-30_08-06-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5CZtKjxZ/2025-01-30_08-06-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5ESAZwTf/2025-01-30_08-06-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5EWQ8WQh/2025-01-30_08-06-02/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5GrzLRi3/2025-01-30_08-05-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5HGrqUKc/2025-01-30_08-06-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5E2VPvK2/2025-01-30_08-06-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5GR4rEwj/2025-01-30_08-06-00/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5EycN1NE/2025-01-30_08-06-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5DsnAEMX/2025-01-30_08-06-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5EhxUCpu/2025-01-30_08-06-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5CZtKjxZ/2025-01-30_08-06-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5ESAZwTf/2025-01-30_08-06-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jnz/5GKH9FPP/5EWQ8WQh/2025-01-30_08-06-02/md_0_1_old.cpt" ]
14704 f0022a9c-6266-4045-b778-060641c6e555 4hxq 2025-01-30 04:40:04 2025-01-30 08:13:42 1 No No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH
['5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp', '5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN']
[ "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp", "5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hxq/5FFApaS7/2025-01-30_04-40-03/4hxq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hxq/5FFApaS7/2025-01-30_04-40-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hxq/5FFApaS7/2025-01-30_04-40-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4hxq/5FFApaS7/2025-01-30_04-40-03/4hxq.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 206.56}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 206.56 }, "water": "charmm36/water.xml" }
 -37116.4609 2025-01-30 07:48:41 600 6 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5ENZdoRq/2025-01-30_08-13-50/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5DkvT79z/2025-01-30_08-13-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5HGrqUKc/2025-01-30_08-13-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5HWFxVD3/2025-01-30_08-13-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5FKxjBGc/2025-01-30_08-13-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5FvepbgL/2025-01-30_08-13-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5EsK8GE1/2025-01-30_08-13-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5E9rJadE/2025-01-30_08-13-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5DXvZ6kW/2025-01-30_08-13-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5HKMcnD5/2025-01-30_08-13-52/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5ENZdoRq/2025-01-30_08-13-50/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5DkvT79z/2025-01-30_08-13-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5HGrqUKc/2025-01-30_08-13-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5HWFxVD3/2025-01-30_08-13-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5FKxjBGc/2025-01-30_08-13-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5FvepbgL/2025-01-30_08-13-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5EsK8GE1/2025-01-30_08-13-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5E9rJadE/2025-01-30_08-13-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5DXvZ6kW/2025-01-30_08-13-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4hxq/5FFApaS7/5HKMcnD5/2025-01-30_08-13-52/md_0_1.cpt" ]
14702 f4fd0495-c9c5-4883-80d5-19b2f2da8eb5 6e4n 2025-01-30 04:36:33 2025-01-30 07:32:02 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6
['5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE']
[ "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e4n/5F2CsUDV/2025-01-30_04-36-30/6e4n.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e4n/5F2CsUDV/2025-01-30_04-36-30/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e4n/5F2CsUDV/2025-01-30_04-36-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6e4n/5F2CsUDV/2025-01-30_04-36-30/6e4n.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 314.46}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 314.46 }, "water": "charmm36/water.xml" }
 -5423.3633 2025-01-30 06:12:56 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5E7u7wM5/2025-01-30_07-32-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5HN4zGAv/2025-01-30_07-32-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5CV8vqhD/2025-01-30_07-32-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5FU5QKcT/2025-01-30_07-32-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5H1PLX45/2025-01-30_07-32-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5DUBJXqH/2025-01-30_07-32-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5EycN1NE/2025-01-30_07-32-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5DEyuVfF/2025-01-30_07-32-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5CkvSoEP/2025-01-30_07-32-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5Eh1ZgyG/2025-01-30_07-32-17/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5E7u7wM5/2025-01-30_07-32-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5HN4zGAv/2025-01-30_07-32-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5CV8vqhD/2025-01-30_07-32-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5FU5QKcT/2025-01-30_07-32-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5H1PLX45/2025-01-30_07-32-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5DUBJXqH/2025-01-30_07-32-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5EycN1NE/2025-01-30_07-32-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5DEyuVfF/2025-01-30_07-32-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5CkvSoEP/2025-01-30_07-32-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6e4n/5F2CsUDV/5Eh1ZgyG/2025-01-30_07-32-17/md_0_1_old.cpt" ]
14701 73c157c5-04ea-40df-bdfc-bfb998f428d9 3v16 2025-01-30 04:34:28 2025-01-30 07:26:45 1 No No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ
['5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn']
[ "5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v16/5F2CsUDV/2025-01-30_04-34-26/3v16.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v16/5F2CsUDV/2025-01-30_04-34-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v16/5F2CsUDV/2025-01-30_04-34-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3v16/5F2CsUDV/2025-01-30_04-34-26/3v16.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 281.32}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 281.32 }, "water": "charmm36/water.xml" }
 -15036.0518 2025-01-30 05:40:03 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5HEBtdd3/2025-01-30_07-26-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5DhNncUE/2025-01-30_07-26-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5HdfzvTF/2025-01-30_07-26-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5DPprcfa/2025-01-30_07-26-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5GjWuUXL/2025-01-30_07-26-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5GxjqYXt/2025-01-30_07-26-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5HYkJT1S/2025-01-30_07-26-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5CMHnFiW/2025-01-30_07-26-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5Gxq2tRq/2025-01-30_07-26-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5CATsG1V/2025-01-30_07-26-56/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5HEBtdd3/2025-01-30_07-26-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5DhNncUE/2025-01-30_07-26-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5HdfzvTF/2025-01-30_07-26-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5DPprcfa/2025-01-30_07-26-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5GjWuUXL/2025-01-30_07-26-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5GxjqYXt/2025-01-30_07-26-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5HYkJT1S/2025-01-30_07-26-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5CMHnFiW/2025-01-30_07-26-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5Gxq2tRq/2025-01-30_07-26-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3v16/5F2CsUDV/5CATsG1V/2025-01-30_07-26-56/md_0_1.cpt" ]
14664 c0d06b0e-0e7f-4896-8a40-0bc6ea998514 2ea6 2025-01-30 04:32:16 2025-01-30 06:55:50 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA
['5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj']
[ "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ea6/5F4tQyWr/2025-01-30_04-32-14/2ea6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ea6/5F4tQyWr/2025-01-30_04-32-14/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ea6/5F4tQyWr/2025-01-30_04-32-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ea6/5F4tQyWr/2025-01-30_04-32-14/2ea6.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 226.26}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 226.26 }, "water": "charmm36/water.xml" }
 -3722.4846 2025-01-30 05:48:24 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5Dce7pxY/2025-01-30_06-55-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5G9vwUF5/2025-01-30_06-55-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5Dc8cxYU/2025-01-30_06-56-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5HdRGSwc/2025-01-30_06-56-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5ENZdoRq/2025-01-30_06-56-04/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5DPprcfa/2025-01-30_06-56-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5GTWqP6S/2025-01-30_06-56-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5DhNncUE/2025-01-30_06-56-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5DFWAKb5/2025-01-30_06-56-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5GNeDT2Z/2025-01-30_06-56-06/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5Dce7pxY/2025-01-30_06-55-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5G9vwUF5/2025-01-30_06-55-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5Dc8cxYU/2025-01-30_06-56-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5HdRGSwc/2025-01-30_06-56-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5ENZdoRq/2025-01-30_06-56-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5DPprcfa/2025-01-30_06-56-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5GTWqP6S/2025-01-30_06-56-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5DhNncUE/2025-01-30_06-56-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5DFWAKb5/2025-01-30_06-56-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ea6/5F4tQyWr/5GNeDT2Z/2025-01-30_06-56-06/md_0_1_old.cpt" ]
14662 69a423bb-e697-4e93-8d13-0ae5050e7549 2eoe 2025-01-30 04:29:42 2025-01-30 06:53:07 1 No No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau
['5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx']
[ "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eoe/5F4tQyWr/2025-01-30_04-29-40/2eoe.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eoe/5F4tQyWr/2025-01-30_04-29-40/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eoe/5F4tQyWr/2025-01-30_04-29-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eoe/5F4tQyWr/2025-01-30_04-29-40/2eoe.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 396.13}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 396.13 }, "water": "amber14/tip3pfb.xml" }
 -1904.1771 2025-01-30 05:45:24 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5FFZBVP6/2025-01-30_06-53-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5EsKitVx/2025-01-30_06-53-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5FxpkNkq/2025-01-30_06-53-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5HbmGqZk/2025-01-30_06-53-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5HWFxVD3/2025-01-30_06-53-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5GxgkVRW/2025-01-30_06-53-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5EEy7nWM/2025-01-30_06-53-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5CJmAajh/2025-01-30_06-53-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5FZoGG7x/2025-01-30_06-53-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5HGuQx5w/2025-01-30_06-53-16/md_0_1.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5FFZBVP6/2025-01-30_06-53-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5EsKitVx/2025-01-30_06-53-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5FxpkNkq/2025-01-30_06-53-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5HbmGqZk/2025-01-30_06-53-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5HWFxVD3/2025-01-30_06-53-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5GxgkVRW/2025-01-30_06-53-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5EEy7nWM/2025-01-30_06-53-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5CJmAajh/2025-01-30_06-53-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5FZoGG7x/2025-01-30_06-53-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eoe/5F4tQyWr/5HGuQx5w/2025-01-30_06-53-16/md_0_1.cpt" ]
14700 c520cab6-01bf-4613-9bdf-59107e5abc68 1hqw 2025-01-30 04:26:43 2025-01-30 05:58:13 1 No No 5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J 5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49
['5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf']
[ "5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hqw/5CzFiYvB/2025-01-30_04-26-41/1hqw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hqw/5CzFiYvB/2025-01-30_04-26-41/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hqw/5CzFiYvB/2025-01-30_04-26-41/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1hqw/5CzFiYvB/2025-01-30_04-26-41/1hqw.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 210.13}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 210.13 }, "water": "amber14/tip3pfb.xml" }
 -18720.0234 2025-01-30 05:23:29 600 5 1500 1.000000 5
['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5EEwj36U/2025-01-30_05-58-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5DcKLuwD/2025-01-30_05-58-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5E7u7wM5/2025-01-30_05-58-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5ELBjjiT/2025-01-30_05-58-20/md_0_1_old.cpt']
[ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5EEwj36U/2025-01-30_05-58-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5DcKLuwD/2025-01-30_05-58-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5E7u7wM5/2025-01-30_05-58-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1hqw/5CzFiYvB/5ELBjjiT/2025-01-30_05-58-20/md_0_1_old.cpt" ]
Showing items 641 to 660 of 15353 entries