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
16834	a57d9b09-8e8f-4f35-b6da-fd5113935783	3dzr	2025-02-01 22:44:54	2025-02-02 00:38:50	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm	['5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm', '5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC'] [ "5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm", "5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dzr/5Cg5QgjM/2025-02-01_22-44-52/3dzr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dzr/5Cg5QgjM/2025-02-01_22-44-52/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dzr/5Cg5QgjM/2025-02-01_22-44-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3dzr/5Cg5QgjM/2025-02-01_22-44-52/3dzr.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 310.89}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 310.89 }, "water": "amber14/tip3pfb.xml" }	-16134.3174	2025-02-01 23:51:11	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5FRnnfyx/2025-02-02_00-38-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5Fs8ex9e/2025-02-02_00-38-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5GTWqP6S/2025-02-02_00-38-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5EEy7nWM/2025-02-02_00-38-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5GxMgpTj/2025-02-02_00-38-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5DndzPQR/2025-02-02_00-38-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5Fuos1nD/2025-02-02_00-38-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5F1boa8C/2025-02-02_00-38-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5HN4zGAv/2025-02-02_00-38-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5GEhtD5B/2025-02-02_00-38-54/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5FRnnfyx/2025-02-02_00-38-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5Fs8ex9e/2025-02-02_00-38-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5GTWqP6S/2025-02-02_00-38-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5EEy7nWM/2025-02-02_00-38-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5GxMgpTj/2025-02-02_00-38-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5DndzPQR/2025-02-02_00-38-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5Fuos1nD/2025-02-02_00-38-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5F1boa8C/2025-02-02_00-38-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5HN4zGAv/2025-02-02_00-38-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3dzr/5Cg5QgjM/5GEhtD5B/2025-02-02_00-38-54/md_0_1.cpt" ]
16832	4e455a35-3dd5-4dca-9fb5-0f63fe5066be	4eii	2025-02-01 22:34:52	2025-02-02 00:25:18	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg	['5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu'] [ "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4eii/5FFApaS7/2025-02-01_22-34-51/4eii.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4eii/5FFApaS7/2025-02-01_22-34-51/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4eii/5FFApaS7/2025-02-01_22-34-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4eii/5FFApaS7/2025-02-01_22-34-51/4eii.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 264.45}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 264.45 }, "water": "amber14/tip3pfb.xml" }	-37228.3281	2025-02-01 23:27:24	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5FRnnfyx/2025-02-02_00-25-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5HpDuDJb/2025-02-02_00-25-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5CkkTeB4/2025-02-02_00-25-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5Gb5EGGA/2025-02-02_00-25-25/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5FdvaRoH/2025-02-02_00-25-25/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5ES6G8x2/2025-02-02_00-25-26/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5FqatghH/2025-02-02_00-25-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5CATsG1V/2025-02-02_00-25-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5DXiys3z/2025-02-02_00-25-26/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5FRnnfyx/2025-02-02_00-25-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5HpDuDJb/2025-02-02_00-25-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5CkkTeB4/2025-02-02_00-25-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5Gb5EGGA/2025-02-02_00-25-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5FdvaRoH/2025-02-02_00-25-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5ES6G8x2/2025-02-02_00-25-26/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5FqatghH/2025-02-02_00-25-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5CATsG1V/2025-02-02_00-25-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4eii/5FFApaS7/5DXiys3z/2025-02-02_00-25-26/md_0_1.cpt" ]
16831	87d8a3ee-2660-460a-bfd0-5e7f7619e339	1b1j	2025-02-01 22:34:36	2025-02-02 03:20:48	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo	['5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW'] [ "5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b1j/5F2CsUDV/2025-02-01_22-34-34/1b1j.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b1j/5F2CsUDV/2025-02-01_22-34-34/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b1j/5F2CsUDV/2025-02-01_22-34-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b1j/5F2CsUDV/2025-02-01_22-34-34/1b1j.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 327.77}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 327.77 }, "water": "charmm36/water.xml" }	-9878.7842	2025-02-02 00:53:28	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5GbtQBrz/2025-02-02_03-20-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5GpsZaPf/2025-02-02_03-21-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5CY9apyj/2025-02-02_03-21-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5GjWuUXL/2025-02-02_03-21-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5FRHk95S/2025-02-02_03-21-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5HYVRNRE/2025-02-02_03-21-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5DyitGMU/2025-02-02_03-21-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5EhomZa6/2025-02-02_03-21-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5FHgDbX7/2025-02-02_03-21-02/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5GbtQBrz/2025-02-02_03-20-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5GpsZaPf/2025-02-02_03-21-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5CY9apyj/2025-02-02_03-21-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5GjWuUXL/2025-02-02_03-21-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5FRHk95S/2025-02-02_03-21-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5HYVRNRE/2025-02-02_03-21-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5DyitGMU/2025-02-02_03-21-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5EhomZa6/2025-02-02_03-21-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b1j/5F2CsUDV/5FHgDbX7/2025-02-02_03-21-02/md_0_1.cpt" ]
16830	d224513c-1ad2-47f0-ad5a-29daca88af06	1dfy	2025-02-01 22:33:17	2025-02-02 00:33:59	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez	['5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg', '5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5F7eRZaJvdeEarQWCQE6x4J7aWr8RfKdyLRyZUG2wMJ5Xjk8', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM'] [ "5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg", "5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5F7eRZaJvdeEarQWCQE6x4J7aWr8RfKdyLRyZUG2wMJ5Xjk8", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dfy/5GKH9FPP/2025-02-01_22-33-15/1dfy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dfy/5GKH9FPP/2025-02-01_22-33-15/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dfy/5GKH9FPP/2025-02-01_22-33-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dfy/5GKH9FPP/2025-02-01_22-33-15/1dfy.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 230.59}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 230.59 }, "water": "amber14/tip3pfb.xml" }	-323.1590	2025-02-01 23:38:43	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5Gx3DkGG/2025-02-02_00-34-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5EsKXx7M/2025-02-02_00-34-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5CX1t6qK/2025-02-02_00-34-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5F7eRZaJ/2025-02-02_00-34-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5GNeDT2Z/2025-02-02_00-34-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5CZtKjxZ/2025-02-02_00-34-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5CULginL/2025-02-02_00-34-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5E9rJadE/2025-02-02_00-34-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5ES6G8x2/2025-02-02_00-34-23/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5Gx3DkGG/2025-02-02_00-34-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5EsKXx7M/2025-02-02_00-34-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5CX1t6qK/2025-02-02_00-34-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5F7eRZaJ/2025-02-02_00-34-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5GNeDT2Z/2025-02-02_00-34-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5CZtKjxZ/2025-02-02_00-34-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5CULginL/2025-02-02_00-34-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5E9rJadE/2025-02-02_00-34-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dfy/5GKH9FPP/5ES6G8x2/2025-02-02_00-34-23/md_0_1.cpt" ]
16829	10a18d8d-f8f2-4ec2-a69b-b3801b54feb7	6zn2	2025-02-01 22:31:56	2025-02-02 03:15:22	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC	['5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn'] [ "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zn2/5F2CsUDV/2025-02-01_22-31-54/6zn2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zn2/5F2CsUDV/2025-02-01_22-31-54/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zn2/5F2CsUDV/2025-02-01_22-31-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zn2/5F2CsUDV/2025-02-01_22-31-54/6zn2.pdb" }	{'ff': 'charmm36.xml', 'box': 'dodecahedron', 'water': 'charmm36/tip5pew.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 200.68}} { "box": "dodecahedron", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 200.68 }, "water": "charmm36/tip5pew.xml" }	-85572.9609	2025-02-02 01:45:49	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5FWYXGNx/2025-02-02_03-15-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5Fs8ex9e/2025-02-02_03-16-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5HGuQx5w/2025-02-02_03-16-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5G9vwUF5/2025-02-02_03-16-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5EyWujpT/2025-02-02_03-16-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5GEhtD5B/2025-02-02_03-16-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5CkkTeB4/2025-02-02_03-16-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5DcKLuwD/2025-02-02_03-16-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5CaPMXwr/2025-02-02_03-16-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5CATsG1V/2025-02-02_03-16-25/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5FWYXGNx/2025-02-02_03-15-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5Fs8ex9e/2025-02-02_03-16-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5HGuQx5w/2025-02-02_03-16-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5G9vwUF5/2025-02-02_03-16-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5EyWujpT/2025-02-02_03-16-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5GEhtD5B/2025-02-02_03-16-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5CkkTeB4/2025-02-02_03-16-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5DcKLuwD/2025-02-02_03-16-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5CaPMXwr/2025-02-02_03-16-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zn2/5F2CsUDV/5CATsG1V/2025-02-02_03-16-25/md_0_1.cpt" ]
16828	3dfad10e-b47b-40f3-bdbd-f5a3d0846600	8xpd	2025-02-01 22:31:27	2025-02-02 00:51:03	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G	['5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW', '5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB'] [ "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW", "5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8xpd/5FFApaS7/2025-02-01_22-31-26/8xpd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8xpd/5FFApaS7/2025-02-01_22-31-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8xpd/5FFApaS7/2025-02-01_22-31-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8xpd/5FFApaS7/2025-02-01_22-31-26/8xpd.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 254.83}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 254.83 }, "water": "charmm36/water.xml" }	-23138.6094	2025-02-02 00:23:26	600	6	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5CX1t6qK/2025-02-02_00-51-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5EcFV1Tp/2025-02-02_00-51-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5DFWAKb5/2025-02-02_00-51-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HotM239/2025-02-02_00-51-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HTmcwCy/2025-02-02_00-51-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5H3uS2zM/2025-02-02_00-51-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HYCRBVh/2025-02-02_00-51-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HKMcnD5/2025-02-02_00-51-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5Gy8GULq/2025-02-02_00-51-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5GTWqP6S/2025-02-02_00-51-11/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5CX1t6qK/2025-02-02_00-51-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5EcFV1Tp/2025-02-02_00-51-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5DFWAKb5/2025-02-02_00-51-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HotM239/2025-02-02_00-51-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HTmcwCy/2025-02-02_00-51-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5H3uS2zM/2025-02-02_00-51-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HYCRBVh/2025-02-02_00-51-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5HKMcnD5/2025-02-02_00-51-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5Gy8GULq/2025-02-02_00-51-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8xpd/5FFApaS7/5GTWqP6S/2025-02-02_00-51-11/md_0_1.cpt" ]
16827	073ae5f3-6537-45ad-b856-516c3021f7c0	7wxt	2025-02-01 22:30:08	2025-02-02 00:21:50	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P	['5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao', '5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt'] [ "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao", "5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7wxt/5Cg5QgjM/2025-02-01_22-30-05/7wxt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7wxt/5Cg5QgjM/2025-02-01_22-30-05/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7wxt/5Cg5QgjM/2025-02-01_22-30-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7wxt/5Cg5QgjM/2025-02-01_22-30-05/7wxt.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 384.28}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 384.28 }, "water": "amber14/tip3pfb.xml" }	-14516.5156	2025-02-01 23:25:02	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5Fq4S7oK/2025-02-02_00-21-50/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5DXXiX9i/2025-02-02_00-21-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5DAAjjm6/2025-02-02_00-21-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5EycN1NE/2025-02-02_00-21-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5DS3joaF/2025-02-02_00-21-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5ELBjjiT/2025-02-02_00-21-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5Eq9hKu9/2025-02-02_00-21-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5H1PLX45/2025-02-02_00-21-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5Ec4Vqsh/2025-02-02_00-21-54/md_0_1_old.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5Fq4S7oK/2025-02-02_00-21-50/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5DXXiX9i/2025-02-02_00-21-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5DAAjjm6/2025-02-02_00-21-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5EycN1NE/2025-02-02_00-21-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5DS3joaF/2025-02-02_00-21-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5ELBjjiT/2025-02-02_00-21-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5Eq9hKu9/2025-02-02_00-21-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5H1PLX45/2025-02-02_00-21-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7wxt/5Cg5QgjM/5Ec4Vqsh/2025-02-02_00-21-54/md_0_1_old.cpt" ]
16826	f784fd25-596f-4e32-895d-d6eddca01b99	1ue8	2025-02-01 22:28:49	2025-02-02 00:20:27	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ	['5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK'] [ "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ue8/5Cg5QgjM/2025-02-01_22-28-47/1ue8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ue8/5Cg5QgjM/2025-02-01_22-28-47/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ue8/5Cg5QgjM/2025-02-01_22-28-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ue8/5Cg5QgjM/2025-02-01_22-28-47/1ue8.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 273.06}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 273.06 }, "water": "amber14/tip3pfb.xml" }	-40904.0820	2025-02-01 23:23:55	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HdfzvTF/2025-02-02_00-20-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5Cd59oQs/2025-02-02_00-20-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HZ1iqya/2025-02-02_00-20-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HTmcwCy/2025-02-02_00-20-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5Eji3erb/2025-02-02_00-20-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5FZoGG7x/2025-02-02_00-20-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5DST8S6N/2025-02-02_00-20-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5ELG8hgR/2025-02-02_00-20-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HKMcnD5/2025-02-02_00-20-43/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5FBis2fY/2025-02-02_00-20-43/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HdfzvTF/2025-02-02_00-20-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5Cd59oQs/2025-02-02_00-20-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HZ1iqya/2025-02-02_00-20-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HTmcwCy/2025-02-02_00-20-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5Eji3erb/2025-02-02_00-20-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5FZoGG7x/2025-02-02_00-20-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5DST8S6N/2025-02-02_00-20-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5ELG8hgR/2025-02-02_00-20-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5HKMcnD5/2025-02-02_00-20-43/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ue8/5Cg5QgjM/5FBis2fY/2025-02-02_00-20-43/md_0_1.cpt" ]
16825	d5d3ea77-307d-4b53-9565-0dc6bbd6fc56	6clr	2025-02-01 22:26:58	2025-02-01 23:40:06	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY	['5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5DP1wQuncxXKD8igKo7ypRR6B2bxWPZesQZzr65UGqXJB6bz'] [ "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5DP1wQuncxXKD8igKo7ypRR6B2bxWPZesQZzr65UGqXJB6bz" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6clr/5CzFiYvB/2025-02-01_22-26-57/6clr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6clr/5CzFiYvB/2025-02-01_22-26-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6clr/5CzFiYvB/2025-02-01_22-26-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6clr/5CzFiYvB/2025-02-01_22-26-57/6clr.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 337.7}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 337.7 }, "water": "amber14/tip3pfb.xml" }	-1540.2209	2025-02-01 23:01:50	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5EUX8Kuc/2025-02-01_23-40-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5GehSP5B/2025-02-01_23-40-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5FKxjBGc/2025-02-01_23-40-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5EcDLbvR/2025-02-01_23-40-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5DP1wQun/2025-02-01_23-40-16/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5EUX8Kuc/2025-02-01_23-40-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5GehSP5B/2025-02-01_23-40-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5FKxjBGc/2025-02-01_23-40-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5EcDLbvR/2025-02-01_23-40-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6clr/5CzFiYvB/5DP1wQun/2025-02-01_23-40-16/md_0_1.cpt" ]
16824	d13da7c8-2863-48d8-8e6b-52d04cf9137a	2k2i	2025-02-01 22:25:04	2025-02-02 00:19:06	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo	['5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP'] [ "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k2i/5Cg5QgjM/2025-02-01_22-25-02/2k2i.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k2i/5Cg5QgjM/2025-02-01_22-25-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k2i/5Cg5QgjM/2025-02-01_22-25-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k2i/5Cg5QgjM/2025-02-01_22-25-02/2k2i.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 264.28}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 264.28 }, "water": "charmm36/water.xml" }	-11204.3535	2025-02-01 23:22:38	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5GbtQBrz/2025-02-02_00-19-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5DP14rou/2025-02-02_00-19-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5HdRGSwc/2025-02-02_00-19-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5EUX8Kuc/2025-02-02_00-19-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5HdFjgzv/2025-02-02_00-19-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5Gdn7dSR/2025-02-02_00-19-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5D4kFUfn/2025-02-02_00-19-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5CkvSoEP/2025-02-02_00-19-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5HYficC7/2025-02-02_00-19-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5Hn6NVLW/2025-02-02_00-19-10/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5GbtQBrz/2025-02-02_00-19-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5DP14rou/2025-02-02_00-19-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5HdRGSwc/2025-02-02_00-19-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5EUX8Kuc/2025-02-02_00-19-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5HdFjgzv/2025-02-02_00-19-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5Gdn7dSR/2025-02-02_00-19-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5D4kFUfn/2025-02-02_00-19-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5CkvSoEP/2025-02-02_00-19-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5HYficC7/2025-02-02_00-19-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k2i/5Cg5QgjM/5Hn6NVLW/2025-02-02_00-19-10/md_0_1.cpt" ]
16823	efb9377b-c1df-408c-8e79-87948c02bd0f	7gat	2025-02-01 22:24:46	2025-02-01 23:39:22	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2	['5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2'] [ "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7gat/5CzFiYvB/2025-02-01_22-24-45/7gat.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7gat/5CzFiYvB/2025-02-01_22-24-45/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7gat/5CzFiYvB/2025-02-01_22-24-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7gat/5CzFiYvB/2025-02-01_22-24-45/7gat.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 271.87}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 271.87 }, "water": "amber14/tip3pfb.xml" }	-18048.2090	2025-02-01 23:01:33	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5HZ1iqya/2025-02-01_23-39-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5FHgDbX7/2025-02-01_23-39-33/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5Fv5nUTQ/2025-02-01_23-39-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5HdtUhXT/2025-02-01_23-39-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5Gbc1Dzo/2025-02-01_23-39-49/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5HZ1iqya/2025-02-01_23-39-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5FHgDbX7/2025-02-01_23-39-33/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5Fv5nUTQ/2025-02-01_23-39-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5HdtUhXT/2025-02-01_23-39-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7gat/5CzFiYvB/5Gbc1Dzo/2025-02-01_23-39-49/md_0_1.cpt" ]
16822	1dde4409-8de7-43d7-a10d-01be7b853f64	1b4m	2025-02-01 22:23:54	2025-02-01 23:38:32	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2	['5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5'] [ "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b4m/5CzFiYvB/2025-02-01_22-23-52/1b4m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b4m/5CzFiYvB/2025-02-01_22-23-52/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b4m/5CzFiYvB/2025-02-01_22-23-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b4m/5CzFiYvB/2025-02-01_22-23-52/1b4m.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 215.22}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 215.22 }, "water": "charmm36/water.xml" }	-15496.6699	2025-02-01 23:01:02	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5DndzPQR/2025-02-01_23-38-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5G6mzcBY/2025-02-01_23-38-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5DPprcfa/2025-02-01_23-38-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5HTGnSe5/2025-02-01_23-38-49/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5DndzPQR/2025-02-01_23-38-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5G6mzcBY/2025-02-01_23-38-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5DPprcfa/2025-02-01_23-38-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1b4m/5CzFiYvB/5HTGnSe5/2025-02-01_23-38-49/md_0_1.cpt" ]
16821	6aa0f8d0-8956-41b2-8fd2-1b2003cd03bf	1dy3	2025-02-01 22:23:41	2025-02-02 00:32:39	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE	['5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb'] [ "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dy3/5GKH9FPP/2025-02-01_22-23-39/1dy3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dy3/5GKH9FPP/2025-02-01_22-23-39/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dy3/5GKH9FPP/2025-02-01_22-23-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1dy3/5GKH9FPP/2025-02-01_22-23-39/1dy3.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 377.21}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 377.21 }, "water": "amber14/tip3pfb.xml" }	-13216.5605	2025-02-01 23:37:39	600	5	1500	1.000000	5	['', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5HGrqUKc/2025-02-02_00-32-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5FZoGG7x/2025-02-02_00-32-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5HWFxVD3/2025-02-02_00-32-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5ELG8hgR/2025-02-02_00-32-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5GbtQBrz/2025-02-02_00-32-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5EcFV1Tp/2025-02-02_00-32-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5E4Eu5KB/2025-02-02_00-33-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5Cfkokas/2025-02-02_00-33-00/md_0_1.cpt'] [ "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5HGrqUKc/2025-02-02_00-32-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5FZoGG7x/2025-02-02_00-32-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5HWFxVD3/2025-02-02_00-32-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5ELG8hgR/2025-02-02_00-32-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5GbtQBrz/2025-02-02_00-32-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5EcFV1Tp/2025-02-02_00-32-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5E4Eu5KB/2025-02-02_00-33-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1dy3/5GKH9FPP/5Cfkokas/2025-02-02_00-33-00/md_0_1.cpt" ]
16820	96d560fc-edba-4f68-b38f-c98018246271	2mua	2025-02-01 22:22:40	2025-02-01 23:36:56	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA	['5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA'] [ "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mua/5CzFiYvB/2025-02-01_22-22-39/2mua.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mua/5CzFiYvB/2025-02-01_22-22-39/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mua/5CzFiYvB/2025-02-01_22-22-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mua/5CzFiYvB/2025-02-01_22-22-39/2mua.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 395.82}} { "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.93, "temperature": 395.82 }, "water": "amber14/tip4pew.xml" }	-1958.6379	2025-02-01 22:59:28	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5GTWqP6S/2025-02-01_23-37-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5CiGhHrn/2025-02-01_23-37-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5ExkyH3g/2025-02-01_23-37-03/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5Gdn7dSR/2025-02-01_23-37-03/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5DdAr5Uw/2025-02-01_23-37-03/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5GTWqP6S/2025-02-01_23-37-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5CiGhHrn/2025-02-01_23-37-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5ExkyH3g/2025-02-01_23-37-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5Gdn7dSR/2025-02-01_23-37-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mua/5CzFiYvB/5DdAr5Uw/2025-02-01_23-37-03/md_0_1.cpt" ]
16819	d10ce7c9-e416-4b20-87b6-206b2cbfa653	6adf	2025-02-01 22:22:15	2025-02-02 00:30:56	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6	['5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb'] [ "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6adf/5HYk8DMK/2025-02-01_22-22-14/6adf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6adf/5HYk8DMK/2025-02-01_22-22-14/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6adf/5HYk8DMK/2025-02-01_22-22-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6adf/5HYk8DMK/2025-02-01_22-22-14/6adf.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 318.73}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 318.73 }, "water": "amber14/tip3pfb.xml" }	-12552.4238	2025-02-01 23:40:14	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5FH24sg8/2025-02-02_00-31-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Eh1ZgyG/2025-02-02_00-31-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5GsSM359/2025-02-02_00-31-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Hn6NVLW/2025-02-02_00-31-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5DhNncUE/2025-02-02_00-31-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5H4BcoLo/2025-02-02_00-31-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5DP14rou/2025-02-02_00-31-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Gb5EGGA/2025-02-02_00-31-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5CkvSoEP/2025-02-02_00-31-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Cfkokas/2025-02-02_00-31-04/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5FH24sg8/2025-02-02_00-31-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Eh1ZgyG/2025-02-02_00-31-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5GsSM359/2025-02-02_00-31-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Hn6NVLW/2025-02-02_00-31-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5DhNncUE/2025-02-02_00-31-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5H4BcoLo/2025-02-02_00-31-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5DP14rou/2025-02-02_00-31-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Gb5EGGA/2025-02-02_00-31-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5CkvSoEP/2025-02-02_00-31-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6adf/5HYk8DMK/5Cfkokas/2025-02-02_00-31-04/md_0_1.cpt" ]
16818	3b9f3f5d-9d7f-4804-8264-dccc781177ce	2cvj	2025-02-01 22:21:50	2025-02-02 02:13:41	1	No	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x	['5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss'] [ "5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cvj/5HEo565W/2025-02-01_22-21-49/2cvj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cvj/5HEo565W/2025-02-01_22-21-49/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cvj/5HEo565W/2025-02-01_22-21-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cvj/5HEo565W/2025-02-01_22-21-49/2cvj.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 234.46}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 234.46 }, "water": "amber14/tip3pfb.xml" }	-20730.8047	2025-02-02 00:23:12	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5EbgzxZd/2025-02-02_02-13-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HN5q9Fa/2025-02-02_02-13-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HmPbPUa/2025-02-02_02-13-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HdfzvTF/2025-02-02_02-13-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HYCRBVh/2025-02-02_02-13-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5CJmAajh/2025-02-02_02-13-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5G9WyBQN/2025-02-02_02-13-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5Eo36DdG/2025-02-02_02-13-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5GGb3rhZ/2025-02-02_02-13-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5FkBB721/2025-02-02_02-13-57/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5EbgzxZd/2025-02-02_02-13-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HN5q9Fa/2025-02-02_02-13-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HmPbPUa/2025-02-02_02-13-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HdfzvTF/2025-02-02_02-13-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5HYCRBVh/2025-02-02_02-13-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5CJmAajh/2025-02-02_02-13-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5G9WyBQN/2025-02-02_02-13-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5Eo36DdG/2025-02-02_02-13-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5GGb3rhZ/2025-02-02_02-13-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cvj/5HEo565W/5FkBB721/2025-02-02_02-13-57/md_0_1.cpt" ]
16784	5e4e7231-b0bd-492c-83a0-2408aa6c24d8	6jea	2025-02-01 22:16:31	2025-02-02 00:20:55	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4	['5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5CfkPeMzTvgm6snXwX6TCniwHdRybk4aFpnx3dpARv1hMqLh', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh'] [ "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5CfkPeMzTvgm6snXwX6TCniwHdRybk4aFpnx3dpARv1hMqLh", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jea/5F4tQyWr/2025-02-01_22-16-19/6jea.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jea/5F4tQyWr/2025-02-01_22-16-19/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jea/5F4tQyWr/2025-02-01_22-16-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6jea/5F4tQyWr/2025-02-01_22-16-19/6jea.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 340.91}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 340.91 }, "water": "amber14/tip3pfb.xml" }	-41778.1016	2025-02-01 23:29:47	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5F4Vi7rw/2025-02-02_00-21-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5HYCRBVh/2025-02-02_00-21-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5CaUeYYY/2025-02-02_00-21-04/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5GBxk4YT/2025-02-02_00-21-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5GutyMJ2/2025-02-02_00-21-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5CfkPeMz/2025-02-02_00-21-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5HpDuDJb/2025-02-02_00-21-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5HYficC7/2025-02-02_00-21-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5GEhtD5B/2025-02-02_00-21-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5CY9apyj/2025-02-02_00-21-06/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5F4Vi7rw/2025-02-02_00-21-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5HYCRBVh/2025-02-02_00-21-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5CaUeYYY/2025-02-02_00-21-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5GBxk4YT/2025-02-02_00-21-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5GutyMJ2/2025-02-02_00-21-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5CfkPeMz/2025-02-02_00-21-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5HpDuDJb/2025-02-02_00-21-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5HYficC7/2025-02-02_00-21-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5GEhtD5B/2025-02-02_00-21-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6jea/5F4tQyWr/5CY9apyj/2025-02-02_00-21-06/md_0_1.cpt" ]
16815	9db5811b-a477-432e-88a8-0506af986b38	1job	2025-02-01 22:14:32	2025-02-01 23:56:46	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM	['5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet'] [ "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1job/5FFApaS7/2025-02-01_22-14-30/1job.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1job/5FFApaS7/2025-02-01_22-14-30/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1job/5FFApaS7/2025-02-01_22-14-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1job/5FFApaS7/2025-02-01_22-14-30/1job.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 224.92}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 224.92 }, "water": "amber14/tip3pfb.xml" }	-19665.1191	2025-02-01 23:01:05	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EEwj36U/2025-02-01_23-56-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5GGb3rhZ/2025-02-01_23-56-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5CHpNaFM/2025-02-01_23-56-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EyWujpT/2025-02-01_23-56-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EZJCvUK/2025-02-01_23-56-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5HonwvyF/2025-02-01_23-57-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5G6mzcBY/2025-02-01_23-57-03/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EcDLbvR/2025-02-01_23-57-03/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5D4kFUfn/2025-02-01_23-57-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5GYVQABL/2025-02-01_23-57-03/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EEwj36U/2025-02-01_23-56-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5GGb3rhZ/2025-02-01_23-56-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5CHpNaFM/2025-02-01_23-56-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EyWujpT/2025-02-01_23-56-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EZJCvUK/2025-02-01_23-56-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5HonwvyF/2025-02-01_23-57-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5G6mzcBY/2025-02-01_23-57-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5EcDLbvR/2025-02-01_23-57-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5D4kFUfn/2025-02-01_23-57-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1job/5FFApaS7/5GYVQABL/2025-02-01_23-57-03/md_0_1.cpt" ]
16814	b21326ed-afeb-42d2-8526-992381814609	4lyw	2025-02-01 22:11:58	2025-02-01 23:55:03	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c	['5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps'] [ "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lyw/5FFApaS7/2025-02-01_22-11-57/4lyw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lyw/5FFApaS7/2025-02-01_22-11-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lyw/5FFApaS7/2025-02-01_22-11-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lyw/5FFApaS7/2025-02-01_22-11-57/4lyw.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 394.84}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 394.84 }, "water": "amber14/tip3pfb.xml" }	-8717.7939	2025-02-01 22:59:19	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5H3NbTt2/2025-02-01_23-55-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5Dka3Vh6/2025-02-01_23-55-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5EhomZa6/2025-02-01_23-55-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5FjT2qPt/2025-02-01_23-55-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5HNjFXXT/2025-02-01_23-55-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5Do45VTZ/2025-02-01_23-55-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5Gdn7dSR/2025-02-01_23-55-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5EhxUCpu/2025-02-01_23-55-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5EsKitVx/2025-02-01_23-55-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5DhNncUE/2025-02-01_23-55-11/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5H3NbTt2/2025-02-01_23-55-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5Dka3Vh6/2025-02-01_23-55-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5EhomZa6/2025-02-01_23-55-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5FjT2qPt/2025-02-01_23-55-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5HNjFXXT/2025-02-01_23-55-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5Do45VTZ/2025-02-01_23-55-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5Gdn7dSR/2025-02-01_23-55-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5EhxUCpu/2025-02-01_23-55-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5EsKitVx/2025-02-01_23-55-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lyw/5FFApaS7/5DhNncUE/2025-02-01_23-55-11/md_0_1.cpt" ]
16813	6a3fc317-0947-4b22-afec-956de278fed1	7cof	2025-02-01 22:10:44	2025-02-02 02:12:01	1	No	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm	['5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm'] [ "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7cof/5HEo565W/2025-02-01_22-10-43/7cof.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7cof/5HEo565W/2025-02-01_22-10-43/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7cof/5HEo565W/2025-02-01_22-10-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7cof/5HEo565W/2025-02-01_22-10-43/7cof.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 229.27}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 229.27 }, "water": "charmm36/water.xml" }	-7614.7314	2025-02-02 00:20:21	600	5	1500	1.000000	5	['', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5ENZdoRq/2025-02-02_02-12-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5H5wXPTT/2025-02-02_02-12-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5Fn13c2T/2025-02-02_02-12-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5ESAZwTf/2025-02-02_02-12-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5CV8vqhD/2025-02-02_02-12-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5CkkTeB4/2025-02-02_02-12-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5Fq4S7oK/2025-02-02_02-12-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5EEy7nWM/2025-02-02_02-12-07/md_0_1.cpt'] [ "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5ENZdoRq/2025-02-02_02-12-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5H5wXPTT/2025-02-02_02-12-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5Fn13c2T/2025-02-02_02-12-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5ESAZwTf/2025-02-02_02-12-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5CV8vqhD/2025-02-02_02-12-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5CkkTeB4/2025-02-02_02-12-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5Fq4S7oK/2025-02-02_02-12-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7cof/5HEo565W/5EEy7nWM/2025-02-02_02-12-07/md_0_1.cpt" ]