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
10125	e3861a16-ec31-4fc8-bd9a-86d73e0ff9f8	3lgr	2025-01-23 13:02:33	2025-01-23 14:10:48	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p	['5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p'] [ "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lgr/5CzFiYvB/2025-01-23_13-02-32/3lgr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lgr/5CzFiYvB/2025-01-23_13-02-32/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lgr/5CzFiYvB/2025-01-23_13-02-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lgr/5CzFiYvB/2025-01-23_13-02-32/3lgr.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 200.55}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 200.55 }, "water": "amber14/tip3pfb.xml" }	-18983.6836	2025-01-23 13:41:46	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5H1PLX45/2025-01-23_14-10-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5HEBtdd3/2025-01-23_14-10-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5CiGhHrn/2025-01-23_14-10-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5Dka3Vh6/2025-01-23_14-10-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5HGZLfCa/2025-01-23_14-10-56/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5H1PLX45/2025-01-23_14-10-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5HEBtdd3/2025-01-23_14-10-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5CiGhHrn/2025-01-23_14-10-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5Dka3Vh6/2025-01-23_14-10-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lgr/5CzFiYvB/5HGZLfCa/2025-01-23_14-10-56/md_0_1.cpt" ]
10124	241f1833-52ed-405b-83a2-7f67afe4408e	2rgf	2025-01-23 13:01:53	2025-01-23 14:56:31	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96	['5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2'] [ "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rgf/5F2CsUDV/2025-01-23_13-01-51/2rgf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rgf/5F2CsUDV/2025-01-23_13-01-51/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rgf/5F2CsUDV/2025-01-23_13-01-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rgf/5F2CsUDV/2025-01-23_13-01-51/2rgf.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 384.05}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 384.05 }, "water": "amber14/tip3pfb.xml" }	-8962.9717	2025-01-23 14:03:22	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5EyWAbu3/2025-01-23_14-56-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5DAAjjm6/2025-01-23_14-56-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5CHpNaFM/2025-01-23_14-56-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5GrmnoWJ/2025-01-23_14-56-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5HdtUhXT/2025-01-23_14-56-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5DhhnQF1/2025-01-23_14-56-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5FTzckmn/2025-01-23_14-56-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5FF48AEJ/2025-01-23_14-56-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5DyitGMU/2025-01-23_14-56-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5FRnnfyx/2025-01-23_14-56-43/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5EyWAbu3/2025-01-23_14-56-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5DAAjjm6/2025-01-23_14-56-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5CHpNaFM/2025-01-23_14-56-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5GrmnoWJ/2025-01-23_14-56-41/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5HdtUhXT/2025-01-23_14-56-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5DhhnQF1/2025-01-23_14-56-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5FTzckmn/2025-01-23_14-56-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5FF48AEJ/2025-01-23_14-56-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5DyitGMU/2025-01-23_14-56-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rgf/5F2CsUDV/5FRnnfyx/2025-01-23_14-56-43/md_0_1.cpt" ]
10123	fdf4834a-d1d2-4ea4-acee-88f038a9504e	4j52	2025-01-23 12:57:39	2025-01-23 15:06:43	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk	['5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT', '5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL'] [ "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT", "5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX", "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4j52/5FFApaS7/2025-01-23_12-57-34/4j52.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4j52/5FFApaS7/2025-01-23_12-57-34/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4j52/5FFApaS7/2025-01-23_12-57-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4j52/5FFApaS7/2025-01-23_12-57-34/4j52.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 395.93}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 395.93 }, "water": "amber14/tip3pfb.xml" }	-20113.1621	2025-01-23 14:01:19	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5FH24sg8/2025-01-23_15-06-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5HdtUhXT/2025-01-23_15-06-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5Ey8VdnS/2025-01-23_15-07-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5DX8y4qK/2025-01-23_15-07-00/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5EyWAbu3/2025-01-23_15-07-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5FKYxVkM/2025-01-23_15-07-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5HawdYry/2025-01-23_15-07-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5F1boa8C/2025-01-23_15-07-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5FU5QKcT/2025-01-23_15-07-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5CRrGY7J/2025-01-23_15-07-02/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5FH24sg8/2025-01-23_15-06-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5HdtUhXT/2025-01-23_15-06-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5Ey8VdnS/2025-01-23_15-07-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5DX8y4qK/2025-01-23_15-07-00/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5EyWAbu3/2025-01-23_15-07-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5FKYxVkM/2025-01-23_15-07-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5HawdYry/2025-01-23_15-07-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5F1boa8C/2025-01-23_15-07-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5FU5QKcT/2025-01-23_15-07-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4j52/5FFApaS7/5CRrGY7J/2025-01-23_15-07-02/md_0_1.cpt" ]
10122	7687831b-302a-41fb-baff-744abad26200	5tli	2025-01-23 12:55:55	2025-01-23 15:04:03	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac	['5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX'] [ "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tli/5FFApaS7/2025-01-23_12-55-50/5tli.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tli/5FFApaS7/2025-01-23_12-55-50/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tli/5FFApaS7/2025-01-23_12-55-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tli/5FFApaS7/2025-01-23_12-55-50/5tli.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 217.45}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 217.45 }, "water": "amber14/tip3pfb.xml" }	-26146.9551	2025-01-23 13:58:36	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5DsnAEMX/2025-01-23_15-04-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5FqatghH/2025-01-23_15-04-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5HWFxVD3/2025-01-23_15-04-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5F4Vi7rw/2025-01-23_15-04-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5DST8S6N/2025-01-23_15-04-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5CATsG1V/2025-01-23_15-04-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5E9rJadE/2025-01-23_15-04-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5GHdVT5q/2025-01-23_15-04-25/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5DRY6eG3/2025-01-23_15-04-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5GxMgpTj/2025-01-23_15-04-25/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5DsnAEMX/2025-01-23_15-04-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5FqatghH/2025-01-23_15-04-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5HWFxVD3/2025-01-23_15-04-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5F4Vi7rw/2025-01-23_15-04-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5DST8S6N/2025-01-23_15-04-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5CATsG1V/2025-01-23_15-04-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5E9rJadE/2025-01-23_15-04-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5GHdVT5q/2025-01-23_15-04-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5DRY6eG3/2025-01-23_15-04-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5tli/5FFApaS7/5GxMgpTj/2025-01-23_15-04-25/md_0_1.cpt" ]
10074	701e6b84-1698-4e4e-8288-3a90767c9a76	7lnc	2025-01-23 12:55:07	2025-01-23 14:57:31	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM	['5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK'] [ "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lnc/5F4tQyWr/2025-01-23_12-55-05/7lnc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lnc/5F4tQyWr/2025-01-23_12-55-05/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lnc/5F4tQyWr/2025-01-23_12-55-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lnc/5F4tQyWr/2025-01-23_12-55-05/7lnc.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 376.94}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 376.94 }, "water": "charmm36/water.xml" }	-7709.7129	2025-01-23 13:38:11	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5DhhnQF1/2025-01-23_14-57-36/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5FvepbgL/2025-01-23_14-57-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5DS3joaF/2025-01-23_14-57-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5FFZBVP6/2025-01-23_14-57-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5GGb3rhZ/2025-01-23_14-57-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5F1boa8C/2025-01-23_14-57-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5DkvT79z/2025-01-23_14-57-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5C5BrEUX/2025-01-23_14-57-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5E4Sun3n/2025-01-23_14-57-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5CHpNaFM/2025-01-23_14-57-42/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5DhhnQF1/2025-01-23_14-57-36/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5FvepbgL/2025-01-23_14-57-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5DS3joaF/2025-01-23_14-57-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5FFZBVP6/2025-01-23_14-57-41/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5GGb3rhZ/2025-01-23_14-57-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5F1boa8C/2025-01-23_14-57-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5DkvT79z/2025-01-23_14-57-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5C5BrEUX/2025-01-23_14-57-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5E4Sun3n/2025-01-23_14-57-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lnc/5F4tQyWr/5CHpNaFM/2025-01-23_14-57-42/md_0_1_old.cpt" ]
10121	c3a55d2f-e04a-4b44-83bd-824fdd2d7b3e	1vij	2025-01-23 12:53:50	2025-01-23 15:06:44	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9	['5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr'] [ "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vij/5GKH9FPP/2025-01-23_12-53-48/1vij.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vij/5GKH9FPP/2025-01-23_12-53-48/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vij/5GKH9FPP/2025-01-23_12-53-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1vij/5GKH9FPP/2025-01-23_12-53-48/1vij.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 371.89}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 371.89 }, "water": "amber14/tip3pfb.xml" }	-12793.2705	2025-01-23 14:52:35	600	4	1500	1.000000	5	[''] [ "" ]
10073	116887fa-b11c-4788-8167-c981946ff7db	1fcx	2025-01-23 12:53:41	2025-01-23 14:53:56	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr	['5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x'] [ "5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY", "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fcx/5F4tQyWr/2025-01-23_12-53-40/1fcx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fcx/5F4tQyWr/2025-01-23_12-53-40/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fcx/5F4tQyWr/2025-01-23_12-53-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fcx/5F4tQyWr/2025-01-23_12-53-40/1fcx.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 234.92}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 234.92 }, "water": "charmm36/water.xml" }	-19517.8652	2025-01-23 13:34:12	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Fn13c2T/2025-01-23_14-54-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5EEwj36U/2025-01-23_14-54-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Grg3vXe/2025-01-23_14-54-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5HeMZXU8/2025-01-23_14-54-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Ew6RyYq/2025-01-23_14-54-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Eo36DdG/2025-01-23_14-54-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Ca47zJP/2025-01-23_14-54-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5H1PLX45/2025-01-23_14-54-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5DhPQXgo/2025-01-23_14-54-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5HN5q9Fa/2025-01-23_14-54-10/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Fn13c2T/2025-01-23_14-54-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5EEwj36U/2025-01-23_14-54-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Grg3vXe/2025-01-23_14-54-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5HeMZXU8/2025-01-23_14-54-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Ew6RyYq/2025-01-23_14-54-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Eo36DdG/2025-01-23_14-54-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5Ca47zJP/2025-01-23_14-54-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5H1PLX45/2025-01-23_14-54-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5DhPQXgo/2025-01-23_14-54-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1fcx/5F4tQyWr/5HN5q9Fa/2025-01-23_14-54-10/md_0_1.cpt" ]
10120	8b8ff81b-91f4-4483-8745-6a0570210429	8rat	2025-01-23 12:53:36	2025-01-23 13:56:42	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA	['5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH'] [ "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rat/5CzFiYvB/2025-01-23_12-53-34/8rat.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rat/5CzFiYvB/2025-01-23_12-53-34/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rat/5CzFiYvB/2025-01-23_12-53-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8rat/5CzFiYvB/2025-01-23_12-53-34/8rat.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 230.78}} { "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 0.91, "temperature": 230.78 }, "water": "amber14/tip4pew.xml" }	-21102.9121	2025-01-23 13:17:19	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5ENVJyUM/2025-01-23_13-56-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5DFuo6i7/2025-01-23_13-56-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5FFZBVP6/2025-01-23_13-56-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5Dc8cxYU/2025-01-23_13-56-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5FvepbgL/2025-01-23_13-56-50/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5ENVJyUM/2025-01-23_13-56-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5DFuo6i7/2025-01-23_13-56-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5FFZBVP6/2025-01-23_13-56-49/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5Dc8cxYU/2025-01-23_13-56-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8rat/5CzFiYvB/5FvepbgL/2025-01-23_13-56-50/md_0_1.cpt" ]
10119	2cab3b46-9930-4c01-b6fd-6fc1b1b467ad	7vgo	2025-01-23 12:52:44	2025-01-23 14:45:06	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL	['5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp'] [ "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7vgo/5F2CsUDV/2025-01-23_12-52-42/7vgo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7vgo/5F2CsUDV/2025-01-23_12-52-42/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7vgo/5F2CsUDV/2025-01-23_12-52-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7vgo/5F2CsUDV/2025-01-23_12-52-42/7vgo.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 315.27}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 315.27 }, "water": "charmm36/water.xml" }	-9253.5527	2025-01-23 13:38:41	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5GNfrcEs/2025-01-23_14-45-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5HGrqUKc/2025-01-23_14-45-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5EcDLbvR/2025-01-23_14-45-35/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5CRrGY7J/2025-01-23_14-45-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5HeMZXU8/2025-01-23_14-45-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5EhomZa6/2025-01-23_14-45-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5GrzLRi3/2025-01-23_14-45-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5CkvSoEP/2025-01-23_14-45-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5DS3joaF/2025-01-23_14-45-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5DST8S6N/2025-01-23_14-45-40/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5GNfrcEs/2025-01-23_14-45-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5HGrqUKc/2025-01-23_14-45-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5EcDLbvR/2025-01-23_14-45-35/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5CRrGY7J/2025-01-23_14-45-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5HeMZXU8/2025-01-23_14-45-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5EhomZa6/2025-01-23_14-45-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5GrzLRi3/2025-01-23_14-45-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5CkvSoEP/2025-01-23_14-45-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5DS3joaF/2025-01-23_14-45-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7vgo/5F2CsUDV/5DST8S6N/2025-01-23_14-45-40/md_0_1_old.cpt" ]
10118	74959c3a-d625-4815-90b0-a1baff3f4973	7rvl	2025-01-23 12:51:29	2025-01-23 14:39:59	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x	['5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy', '5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8'] [ "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy", "5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rvl/5F2CsUDV/2025-01-23_12-51-27/7rvl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rvl/5F2CsUDV/2025-01-23_12-51-27/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rvl/5F2CsUDV/2025-01-23_12-51-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7rvl/5F2CsUDV/2025-01-23_12-51-27/7rvl.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 310.43}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 310.43 }, "water": "amber14/tip3pfb.xml" }	-1659.4509	2025-01-23 13:33:41	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5H3NbTt2/2025-01-23_14-40-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5D4kFUfn/2025-01-23_14-40-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5GeHm4rw/2025-01-23_14-40-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5G9K3aZm/2025-01-23_14-40-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5HpCxvH5/2025-01-23_14-40-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5CtCgQia/2025-01-23_14-40-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5EyWujpT/2025-01-23_14-40-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5CouGodv/2025-01-23_14-40-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5HN5q9Fa/2025-01-23_14-40-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5EWQ8WQh/2025-01-23_14-40-11/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5H3NbTt2/2025-01-23_14-40-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5D4kFUfn/2025-01-23_14-40-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5GeHm4rw/2025-01-23_14-40-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5G9K3aZm/2025-01-23_14-40-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5HpCxvH5/2025-01-23_14-40-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5CtCgQia/2025-01-23_14-40-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5EyWujpT/2025-01-23_14-40-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5CouGodv/2025-01-23_14-40-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5HN5q9Fa/2025-01-23_14-40-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7rvl/5F2CsUDV/5EWQ8WQh/2025-01-23_14-40-11/md_0_1_old.cpt" ]
10117	956c7ccb-c4a0-4edd-bdc4-76b54e6b8b1a	4xkw	2025-01-23 12:51:21	2025-01-23 14:55:31	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA	['5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ', '5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm', '5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm'] [ "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ", "5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm", "5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xkw/5F2CsUDV/2025-01-23_12-51-19/4xkw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xkw/5F2CsUDV/2025-01-23_12-51-19/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xkw/5F2CsUDV/2025-01-23_12-51-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xkw/5F2CsUDV/2025-01-23_12-51-19/4xkw.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 360.81}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 360.81 }, "water": "amber14/tip3pfb.xml" }	-38516.2891	2025-01-23 14:20:08	600	6	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5C5mW9ze/2025-01-23_14-55-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5FeeZzWZ/2025-01-23_14-55-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5DcKLuwD/2025-01-23_14-55-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5D9nYrVf/2025-01-23_14-55-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5G3onMPU/2025-01-23_14-55-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5GYVQABL/2025-01-23_14-55-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5EEy7nWM/2025-01-23_14-55-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5EqEJuYc/2025-01-23_14-55-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5DkvT79z/2025-01-23_14-55-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5CV8vqhD/2025-01-23_14-55-43/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5C5mW9ze/2025-01-23_14-55-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5FeeZzWZ/2025-01-23_14-55-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5DcKLuwD/2025-01-23_14-55-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5D9nYrVf/2025-01-23_14-55-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5G3onMPU/2025-01-23_14-55-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5GYVQABL/2025-01-23_14-55-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5EEy7nWM/2025-01-23_14-55-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5EqEJuYc/2025-01-23_14-55-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5DkvT79z/2025-01-23_14-55-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xkw/5F2CsUDV/5CV8vqhD/2025-01-23_14-55-43/md_0_1.cpt" ]
10071	f6a75171-fd94-4afe-be96-661700696b2f	8wmk	2025-01-23 12:51:21	2025-01-23 14:49:47	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG	['5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk'] [ "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8wmk/5F4tQyWr/2025-01-23_12-51-20/8wmk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8wmk/5F4tQyWr/2025-01-23_12-51-20/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8wmk/5F4tQyWr/2025-01-23_12-51-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8wmk/5F4tQyWr/2025-01-23_12-51-20/8wmk.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 340.29}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 340.29 }, "water": "amber14/tip3pfb.xml" }	-24284.5996	2025-01-23 13:30:52	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5CZtKjxZ/2025-01-23_14-49-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5DFWAKb5/2025-01-23_14-50-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5GjWuUXL/2025-01-23_14-50-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5FWYXGNx/2025-01-23_14-50-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5FkBB721/2025-01-23_14-50-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5GpsZaPf/2025-01-23_14-50-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5F4Vi7rw/2025-01-23_14-50-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5HGrqUKc/2025-01-23_14-50-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5FTzckmn/2025-01-23_14-50-05/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5CZtKjxZ/2025-01-23_14-49-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5DFWAKb5/2025-01-23_14-50-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5GjWuUXL/2025-01-23_14-50-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5FWYXGNx/2025-01-23_14-50-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5FkBB721/2025-01-23_14-50-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5GpsZaPf/2025-01-23_14-50-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5F4Vi7rw/2025-01-23_14-50-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5HGrqUKc/2025-01-23_14-50-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8wmk/5F4tQyWr/5FTzckmn/2025-01-23_14-50-05/md_0_1.cpt" ]
10116	9d6f431b-8b18-4d4b-ba9c-5e62cd462992	2jsw	2025-01-23 12:47:26	2025-01-23 14:10:02	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P	['5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG', '5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF'] [ "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG", "5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jsw/5CzFiYvB/2025-01-23_12-47-24/2jsw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jsw/5CzFiYvB/2025-01-23_12-47-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jsw/5CzFiYvB/2025-01-23_12-47-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jsw/5CzFiYvB/2025-01-23_12-47-24/2jsw.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 212.98}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 212.98 }, "water": "amber14/tip3pfb.xml" }	-16939.9414	2025-01-23 13:32:48	600	6	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5FcDSsb4/2025-01-23_14-10-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5Gbc1Dzo/2025-01-23_14-10-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5E9rJadE/2025-01-23_14-10-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5DXXiX9i/2025-01-23_14-10-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5D4kFUfn/2025-01-23_14-10-11/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5FcDSsb4/2025-01-23_14-10-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5Gbc1Dzo/2025-01-23_14-10-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5E9rJadE/2025-01-23_14-10-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5DXXiX9i/2025-01-23_14-10-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jsw/5CzFiYvB/5D4kFUfn/2025-01-23_14-10-11/md_0_1.cpt" ]
10115	e3d64188-bdba-4a63-85ab-9dc9f27a85cc	2heg	2025-01-23 12:47:20	2025-01-23 14:08:50	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh	['5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4'] [ "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2heg/5CzFiYvB/2025-01-23_12-44-46/2heg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2heg/5CzFiYvB/2025-01-23_12-44-46/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2heg/5CzFiYvB/2025-01-23_12-44-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2heg/5CzFiYvB/2025-01-23_12-44-46/2heg.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 393.3}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 393.3 }, "water": "amber14/tip3pfb.xml" }	-32413.4453	2025-01-23 13:39:03	600	6	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5Gurm68i/2025-01-23_14-08-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5CY9apyj/2025-01-23_14-08-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5ExkyH3g/2025-01-23_14-08-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5CAz8emp/2025-01-23_14-08-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5GjWuUXL/2025-01-23_14-08-57/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5Gurm68i/2025-01-23_14-08-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5CY9apyj/2025-01-23_14-08-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5ExkyH3g/2025-01-23_14-08-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5CAz8emp/2025-01-23_14-08-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2heg/5CzFiYvB/5GjWuUXL/2025-01-23_14-08-57/md_0_1_old.cpt" ]
10068	9d21ea9d-8bf4-4521-8261-cd2db5b9aab0	1bjj	2025-01-23 12:46:51	2025-01-23 14:47:48	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB	['5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1'] [ "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bjj/5F4tQyWr/2025-01-23_12-46-49/1bjj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bjj/5F4tQyWr/2025-01-23_12-46-49/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bjj/5F4tQyWr/2025-01-23_12-46-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bjj/5F4tQyWr/2025-01-23_12-46-49/1bjj.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 225.72}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 225.72 }, "water": "charmm36/water.xml" }	-67506.9297	2025-01-23 13:29:04	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5FjT2qPt/2025-01-23_14-47-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5DP14rou/2025-01-23_14-48-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5EycN1NE/2025-01-23_14-48-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5EEy7nWM/2025-01-23_14-48-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5FHgDbX7/2025-01-23_14-48-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5CkzwPiq/2025-01-23_14-48-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5DAAjjm6/2025-01-23_14-48-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5GTWqP6S/2025-01-23_14-48-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5FRHk95S/2025-01-23_14-48-04/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5FjT2qPt/2025-01-23_14-47-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5DP14rou/2025-01-23_14-48-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5EycN1NE/2025-01-23_14-48-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5EEy7nWM/2025-01-23_14-48-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5FHgDbX7/2025-01-23_14-48-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5CkzwPiq/2025-01-23_14-48-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5DAAjjm6/2025-01-23_14-48-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5GTWqP6S/2025-01-23_14-48-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1bjj/5F4tQyWr/5FRHk95S/2025-01-23_14-48-04/md_0_1.cpt" ]
10114	1f27b35c-51e6-4bfd-ae77-2244efa04d97	6mqj	2025-01-23 12:43:40	2025-01-23 15:16:23	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB	['5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u'] [ "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mqj/5HYk8DMK/2025-01-23_12-43-39/6mqj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mqj/5HYk8DMK/2025-01-23_12-43-39/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mqj/5HYk8DMK/2025-01-23_12-43-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6mqj/5HYk8DMK/2025-01-23_12-43-39/6mqj.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 335.26}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 335.26 }, "water": "charmm36/water.xml" }	-7126.0845	2025-01-23 13:53:39	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5GNfrcEs/2025-01-23_15-16-29/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5FZEixsS/2025-01-23_15-16-31/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5HbgRnCL/2025-01-23_15-16-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5Hh4RLJA/2025-01-23_15-16-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5GeqtuH4/2025-01-23_15-16-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5HGrqUKc/2025-01-23_15-16-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5GvDM9XH/2025-01-23_15-16-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5DS3joaF/2025-01-23_15-16-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5HHActHD/2025-01-23_15-16-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5EWwHneX/2025-01-23_15-16-40/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5GNfrcEs/2025-01-23_15-16-29/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5FZEixsS/2025-01-23_15-16-31/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5HbgRnCL/2025-01-23_15-16-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5Hh4RLJA/2025-01-23_15-16-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5GeqtuH4/2025-01-23_15-16-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5HGrqUKc/2025-01-23_15-16-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5GvDM9XH/2025-01-23_15-16-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5DS3joaF/2025-01-23_15-16-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5HHActHD/2025-01-23_15-16-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6mqj/5HYk8DMK/5EWwHneX/2025-01-23_15-16-40/md_0_1.cpt" ]
10113	e22af7eb-2461-40ab-85d4-60f3f86bcd9b	6zup	2025-01-23 12:43:28	2025-01-23 15:11:33	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6	['5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT'] [ "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zup/5HYk8DMK/2025-01-23_12-43-26/6zup.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zup/5HYk8DMK/2025-01-23_12-43-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zup/5HYk8DMK/2025-01-23_12-43-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6zup/5HYk8DMK/2025-01-23_12-43-26/6zup.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 248.71}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 248.71 }, "water": "charmm36/water.xml" }	0.0000	2025-01-23 13:15:20	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5G27Crdi/2025-01-23_15-11-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5FLh1jsy/2025-01-23_15-11-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5E7u7wM5/2025-01-23_15-11-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5CtCgQia/2025-01-23_15-11-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5DyitGMU/2025-01-23_15-11-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5F9nfJQE/2025-01-23_15-11-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5Gxq2tRq/2025-01-23_15-11-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5Dce7pxY/2025-01-23_15-11-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5FjT2qPt/2025-01-23_15-11-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5CJmAajh/2025-01-23_15-11-57/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5G27Crdi/2025-01-23_15-11-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5FLh1jsy/2025-01-23_15-11-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5E7u7wM5/2025-01-23_15-11-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5CtCgQia/2025-01-23_15-11-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5DyitGMU/2025-01-23_15-11-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5F9nfJQE/2025-01-23_15-11-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5Gxq2tRq/2025-01-23_15-11-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5Dce7pxY/2025-01-23_15-11-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5FjT2qPt/2025-01-23_15-11-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6zup/5HYk8DMK/5CJmAajh/2025-01-23_15-11-57/md_0_1.cpt" ]
10112	6c09f082-2b8a-4ed2-a14d-566455472f7b	1cft	2025-01-23 12:43:24	2025-01-23 15:05:30	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD	['5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk', '5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq'] [ "5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk", "5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cft/5GKH9FPP/2025-01-23_12-43-22/1cft.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cft/5GKH9FPP/2025-01-23_12-43-22/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cft/5GKH9FPP/2025-01-23_12-43-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cft/5GKH9FPP/2025-01-23_12-43-22/1cft.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 270.16}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 270.16 }, "water": "amber14/tip3pfb.xml" }	-31593.5098	2025-01-23 15:05:30	600	4	1500	1.000000	5	[''] [ "" ]
10111	0685b87f-819f-4205-b1cd-9595f3c1966a	7nnp	2025-01-23 12:42:34	2025-01-23 14:22:45	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6	['5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc'] [ "5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7nnp/5CzFiYvB/2025-01-23_12-42-32/7nnp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7nnp/5CzFiYvB/2025-01-23_12-42-32/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7nnp/5CzFiYvB/2025-01-23_12-42-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7nnp/5CzFiYvB/2025-01-23_12-42-32/7nnp.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 310.18}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 310.18 }, "water": "charmm36/water.xml" }	-28393.5879	2025-01-23 13:54:14	600	7	1500	1.000000	5	['', '', '', '', ''] [ "", "", "", "", "" ]
10110	853c7a3f-025b-493a-9ce5-cd7c6de25664	1bt4	2025-01-23 12:41:22	2025-01-23 15:03:09	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t	['5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4'] [ "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bt4/5GKH9FPP/2025-01-23_12-41-20/1bt4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bt4/5GKH9FPP/2025-01-23_12-41-20/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bt4/5GKH9FPP/2025-01-23_12-41-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bt4/5GKH9FPP/2025-01-23_12-41-20/1bt4.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 256.72}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 256.72 }, "water": "charmm36/water.xml" }	-19154.6855	2025-01-23 14:12:27	600	4	1500	1.000000	5	[''] [ "" ]