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
10350	d7c2a492-bc3a-4994-a48c-50a9a9717abe	8fs9	2025-01-23 20:15:55	2025-01-23 23:38:08	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE	['5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc'] [ "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fs9/5F2CsUDV/2025-01-23_20-15-53/8fs9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fs9/5F2CsUDV/2025-01-23_20-15-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fs9/5F2CsUDV/2025-01-23_20-15-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8fs9/5F2CsUDV/2025-01-23_20-15-53/8fs9.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 200.31}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 200.31 }, "water": "amber14/tip3pfb.xml" }	-14757.9902	2025-01-23 21:53:47	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5FvepbgL/2025-01-23_23-38-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5H3NbTt2/2025-01-23_23-38-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5ExkyH3g/2025-01-23_23-38-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5C5BrEUX/2025-01-23_23-38-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5HGrqUKc/2025-01-23_23-38-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5FF48AEJ/2025-01-23_23-38-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5Dyv2T3R/2025-01-23_23-38-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5CoEdgdk/2025-01-23_23-38-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5DkvT79z/2025-01-23_23-38-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5FsanqbF/2025-01-23_23-38-28/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5FvepbgL/2025-01-23_23-38-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5H3NbTt2/2025-01-23_23-38-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5ExkyH3g/2025-01-23_23-38-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5C5BrEUX/2025-01-23_23-38-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5HGrqUKc/2025-01-23_23-38-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5FF48AEJ/2025-01-23_23-38-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5Dyv2T3R/2025-01-23_23-38-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5CoEdgdk/2025-01-23_23-38-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5DkvT79z/2025-01-23_23-38-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8fs9/5F2CsUDV/5FsanqbF/2025-01-23_23-38-28/md_0_1.cpt" ]
10349	e7b044a9-55cc-4dfc-9938-40fb0f290b3d	1s85	2025-01-23 20:15:48	2025-01-23 23:37:11	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL	['5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e', '5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA'] [ "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1s85/5F2CsUDV/2025-01-23_20-15-46/1s85.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1s85/5F2CsUDV/2025-01-23_20-15-46/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1s85/5F2CsUDV/2025-01-23_20-15-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1s85/5F2CsUDV/2025-01-23_20-15-46/1s85.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 271.25}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 271.25 }, "water": "amber14/tip3pfb.xml" }	-13967.4941	2025-01-23 21:52:58	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5EyWAbu3/2025-01-23_23-37-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5CtCgQia/2025-01-23_23-37-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5G9K3aZm/2025-01-23_23-37-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5HR74jwT/2025-01-23_23-37-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5HGuQx5w/2025-01-23_23-37-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5Fs8ex9e/2025-01-23_23-37-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5GsSM359/2025-01-23_23-37-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5FLh1jsy/2025-01-23_23-37-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5DaVVLYY/2025-01-23_23-37-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5Dc8cxYU/2025-01-23_23-37-22/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5EyWAbu3/2025-01-23_23-37-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5CtCgQia/2025-01-23_23-37-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5G9K3aZm/2025-01-23_23-37-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5HR74jwT/2025-01-23_23-37-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5HGuQx5w/2025-01-23_23-37-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5Fs8ex9e/2025-01-23_23-37-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5GsSM359/2025-01-23_23-37-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5FLh1jsy/2025-01-23_23-37-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5DaVVLYY/2025-01-23_23-37-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1s85/5F2CsUDV/5Dc8cxYU/2025-01-23_23-37-22/md_0_1.cpt" ]
10347	ba60f25a-e442-4564-bb99-19b6e85f6bcb	1k09	2025-01-23 20:13:35	2025-01-23 21:46:02	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS	['5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv'] [ "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k09/5CzFiYvB/2025-01-23_20-13-33/1k09.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k09/5CzFiYvB/2025-01-23_20-13-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k09/5CzFiYvB/2025-01-23_20-13-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k09/5CzFiYvB/2025-01-23_20-13-33/1k09.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 272.59}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 272.59 }, "water": "amber14/tip3pfb.xml" }	-3177.9648	2025-01-23 21:10:43	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5EycN1NE/2025-01-23_21-46-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5ESAZwTf/2025-01-23_21-46-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5DAAjjm6/2025-01-23_21-46-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5CcabLox/2025-01-23_21-46-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5HU3t5Nc/2025-01-23_21-46-10/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5EycN1NE/2025-01-23_21-46-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5ESAZwTf/2025-01-23_21-46-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5DAAjjm6/2025-01-23_21-46-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5CcabLox/2025-01-23_21-46-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k09/5CzFiYvB/5HU3t5Nc/2025-01-23_21-46-10/md_0_1.cpt" ]
10346	fb48e547-4809-4a38-bc31-a65bc604e980	1c1e	2025-01-23 20:13:08	2025-01-23 21:50:11	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT	['5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2'] [ "5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c1e/5HYk8DMK/2025-01-23_20-13-07/1c1e.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c1e/5HYk8DMK/2025-01-23_20-13-07/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c1e/5HYk8DMK/2025-01-23_20-13-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1c1e/5HYk8DMK/2025-01-23_20-13-07/1c1e.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 367.95}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 367.95 }, "water": "amber14/tip3pfb.xml" }	-23841.8613	2025-01-23 21:02:02	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5D8KgSsG/2025-01-23_21-50-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5Hh4RLJA/2025-01-23_21-50-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5E7u7wM5/2025-01-23_21-50-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5DEyuVfF/2025-01-23_21-50-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5EsK8GE1/2025-01-23_21-50-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5F4Vi7rw/2025-01-23_21-50-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5EyWAbu3/2025-01-23_21-50-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5FkBB721/2025-01-23_21-50-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5G6mzcBY/2025-01-23_21-50-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5Gx3DkGG/2025-01-23_21-50-32/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5D8KgSsG/2025-01-23_21-50-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5Hh4RLJA/2025-01-23_21-50-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5E7u7wM5/2025-01-23_21-50-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5DEyuVfF/2025-01-23_21-50-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5EsK8GE1/2025-01-23_21-50-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5F4Vi7rw/2025-01-23_21-50-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5EyWAbu3/2025-01-23_21-50-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5FkBB721/2025-01-23_21-50-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5G6mzcBY/2025-01-23_21-50-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1c1e/5HYk8DMK/5Gx3DkGG/2025-01-23_21-50-32/md_0_1_old.cpt" ]
10345	9522f6b3-88e7-4e82-ab06-9b94f7c67d99	2pqd	2025-01-23 20:09:23	2025-01-23 21:45:30	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex	['5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF'] [ "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqd/5CzFiYvB/2025-01-23_20-09-21/2pqd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqd/5CzFiYvB/2025-01-23_20-09-21/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqd/5CzFiYvB/2025-01-23_20-09-21/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pqd/5CzFiYvB/2025-01-23_20-09-21/2pqd.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 204.29}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 204.29 }, "water": "amber14/tip3pfb.xml" }	-43843.8477	2025-01-23 21:10:26	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5CV8vqhD/2025-01-23_21-45-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5Dce7pxY/2025-01-23_21-45-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5DEyuVfF/2025-01-23_21-45-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5HbmGqZk/2025-01-23_21-45-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5DXvZ6kW/2025-01-23_21-45-51/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5CV8vqhD/2025-01-23_21-45-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5Dce7pxY/2025-01-23_21-45-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5DEyuVfF/2025-01-23_21-45-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5HbmGqZk/2025-01-23_21-45-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pqd/5CzFiYvB/5DXvZ6kW/2025-01-23_21-45-51/md_0_1.cpt" ]
10344	6335d0ce-f4ce-4193-9326-391a815f3629	1uoq	2025-01-23 20:09:14	2025-01-23 21:43:50	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S	['5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S'] [ "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uoq/5CzFiYvB/2025-01-23_20-08-47/1uoq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uoq/5CzFiYvB/2025-01-23_20-08-47/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uoq/5CzFiYvB/2025-01-23_20-08-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uoq/5CzFiYvB/2025-01-23_20-08-47/1uoq.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 302.27}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 302.27 }, "water": "amber14/tip3pfb.xml" }	-39430.5820	2025-01-23 21:08:53	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5E4Sun3n/2025-01-23_21-43-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5GR4rEwj/2025-01-23_21-43-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5ESEfcCx/2025-01-23_21-43-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5FkBB721/2025-01-23_21-44-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5DUBJXqH/2025-01-23_21-44-00/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5E4Sun3n/2025-01-23_21-43-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5GR4rEwj/2025-01-23_21-43-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5ESEfcCx/2025-01-23_21-43-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5FkBB721/2025-01-23_21-44-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uoq/5CzFiYvB/5DUBJXqH/2025-01-23_21-44-00/md_0_1_old.cpt" ]
10343	ff241dd4-1c0c-4616-ada4-aacfa3888440	1o2m	2025-01-23 20:08:10	2025-01-23 22:57:45	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW	['5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn'] [ "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1o2m/5GKH9FPP/2025-01-23_20-08-08/1o2m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1o2m/5GKH9FPP/2025-01-23_20-08-08/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1o2m/5GKH9FPP/2025-01-23_20-08-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1o2m/5GKH9FPP/2025-01-23_20-08-08/1o2m.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 366.71}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 366.71 }, "water": "amber14/tip3pfb.xml" }	-8237.2188	2025-01-23 21:55:35	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5FLh1jsy/2025-01-23_22-57-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5Cfkokas/2025-01-23_22-57-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5DUmNo3Q/2025-01-23_22-57-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5D4pv1fQ/2025-01-23_22-57-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5HZ1iqya/2025-01-23_22-57-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5EEy7nWM/2025-01-23_22-57-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5DXvZ6kW/2025-01-23_22-57-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5DFuo6i7/2025-01-23_22-57-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5H5wXPTT/2025-01-23_22-57-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5CD6SYMs/2025-01-23_22-57-55/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5FLh1jsy/2025-01-23_22-57-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5Cfkokas/2025-01-23_22-57-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5DUmNo3Q/2025-01-23_22-57-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5D4pv1fQ/2025-01-23_22-57-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5HZ1iqya/2025-01-23_22-57-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5EEy7nWM/2025-01-23_22-57-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5DXvZ6kW/2025-01-23_22-57-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5DFuo6i7/2025-01-23_22-57-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5H5wXPTT/2025-01-23_22-57-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1o2m/5GKH9FPP/5CD6SYMs/2025-01-23_22-57-55/md_0_1.cpt" ]
10310	98a85e70-12a5-47bb-adba-65f8a020a953	2n6o	2025-01-23 20:07:50	2025-01-23 22:21:45	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG	['5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P', '5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG'] [ "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P", "5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6o/5F4tQyWr/2025-01-23_20-07-49/2n6o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6o/5F4tQyWr/2025-01-23_20-07-49/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6o/5F4tQyWr/2025-01-23_20-07-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2n6o/5F4tQyWr/2025-01-23_20-07-49/2n6o.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 382.93}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 382.93 }, "water": "amber14/tip3pfb.xml" }	-2425.9624	2025-01-23 21:26:26	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5G6mzcBY/2025-01-23_22-21-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5CAz8emp/2025-01-23_22-21-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5GHdVT5q/2025-01-23_22-21-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5CZtKjxZ/2025-01-23_22-21-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5HYCRBVh/2025-01-23_22-21-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5DXXiX9i/2025-01-23_22-21-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5GBzJfFq/2025-01-23_22-21-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5Gurm68i/2025-01-23_22-22-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5HmPbPUa/2025-01-23_22-22-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5DAAjjm6/2025-01-23_22-22-01/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5G6mzcBY/2025-01-23_22-21-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5CAz8emp/2025-01-23_22-21-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5GHdVT5q/2025-01-23_22-21-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5CZtKjxZ/2025-01-23_22-21-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5HYCRBVh/2025-01-23_22-21-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5DXXiX9i/2025-01-23_22-21-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5GBzJfFq/2025-01-23_22-21-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5Gurm68i/2025-01-23_22-22-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5HmPbPUa/2025-01-23_22-22-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2n6o/5F4tQyWr/5DAAjjm6/2025-01-23_22-22-01/md_0_1.cpt" ]
10342	954135dc-0b98-4b04-91db-6bab74cae79b	1x3q	2025-01-23 20:07:43	2025-01-23 21:47:59	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC	['5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB', '5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4'] [ "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB", "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3q/5HYk8DMK/2025-01-23_20-07-42/1x3q.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3q/5HYk8DMK/2025-01-23_20-07-42/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3q/5HYk8DMK/2025-01-23_20-07-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3q/5HYk8DMK/2025-01-23_20-07-42/1x3q.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 330.9}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 330.9 }, "water": "charmm36/water.xml" }	-3196.8477	2025-01-23 21:00:11	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5Gy8GULq/2025-01-23_21-48-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5DkvT79z/2025-01-23_21-48-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5GxgkVRW/2025-01-23_21-48-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5CD6SYMs/2025-01-23_21-48-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5GEhtD5B/2025-01-23_21-48-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5Hn6NVLW/2025-01-23_21-48-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5CAz8emp/2025-01-23_21-48-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5Fn13c2T/2025-01-23_21-48-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5EZJCvUK/2025-01-23_21-48-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5FjT2qPt/2025-01-23_21-48-07/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5Gy8GULq/2025-01-23_21-48-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5DkvT79z/2025-01-23_21-48-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5GxgkVRW/2025-01-23_21-48-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5CD6SYMs/2025-01-23_21-48-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5GEhtD5B/2025-01-23_21-48-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5Hn6NVLW/2025-01-23_21-48-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5CAz8emp/2025-01-23_21-48-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5Fn13c2T/2025-01-23_21-48-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5EZJCvUK/2025-01-23_21-48-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3q/5HYk8DMK/5FjT2qPt/2025-01-23_21-48-07/md_0_1.cpt" ]
10341	05f99b80-ac67-4cc6-81ab-a2a324720eb4	6kio	2025-01-23 20:05:54	2025-01-23 23:35:12	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e	['5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB', '5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ'] [ "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB", "5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kio/5F2CsUDV/2025-01-23_20-05-01/6kio.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kio/5F2CsUDV/2025-01-23_20-05-01/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kio/5F2CsUDV/2025-01-23_20-05-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kio/5F2CsUDV/2025-01-23_20-05-01/6kio.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 393.84}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 393.84 }, "water": "amber14/tip3pfb.xml" }	-57726.1523	2025-01-23 22:29:10	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5FKxjBGc/2025-01-23_23-35-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5F6bUfiS/2025-01-23_23-35-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5EHLjg67/2025-01-23_23-35-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5EjRpczo/2025-01-23_23-35-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5E4Eu5KB/2025-01-23_23-35-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5DRY6eG3/2025-01-23_23-35-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5G3onMPU/2025-01-23_23-35-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5HmPbPUa/2025-01-23_23-35-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5F1boa8C/2025-01-23_23-35-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5GxjqYXt/2025-01-23_23-35-34/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5FKxjBGc/2025-01-23_23-35-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5F6bUfiS/2025-01-23_23-35-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5EHLjg67/2025-01-23_23-35-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5EjRpczo/2025-01-23_23-35-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5E4Eu5KB/2025-01-23_23-35-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5DRY6eG3/2025-01-23_23-35-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5G3onMPU/2025-01-23_23-35-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5HmPbPUa/2025-01-23_23-35-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5F1boa8C/2025-01-23_23-35-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kio/5F2CsUDV/5GxjqYXt/2025-01-23_23-35-34/md_0_1.cpt" ]
10340	b6d014a5-ed3a-4386-aafc-43d13bf367a9	5k1l	2025-01-23 20:04:22	2025-01-23 21:41:38	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e	['5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet', '5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx'] [ "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet", "5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5k1l/5CzFiYvB/2025-01-23_20-04-21/5k1l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5k1l/5CzFiYvB/2025-01-23_20-04-21/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5k1l/5CzFiYvB/2025-01-23_20-04-21/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5k1l/5CzFiYvB/2025-01-23_20-04-21/5k1l.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 272.42}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 272.42 }, "water": "amber14/tip3pfb.xml" }	-27469.6973	2025-01-23 21:06:37	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5DhPQXgo/2025-01-23_21-41-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5E4Eu5KB/2025-01-23_21-41-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5FBis2fY/2025-01-23_21-41-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5GYVQABL/2025-01-23_21-41-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5HGuQx5w/2025-01-23_21-41-46/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5DhPQXgo/2025-01-23_21-41-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5E4Eu5KB/2025-01-23_21-41-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5FBis2fY/2025-01-23_21-41-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5GYVQABL/2025-01-23_21-41-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5k1l/5CzFiYvB/5HGuQx5w/2025-01-23_21-41-46/md_0_1_old.cpt" ]
10308	c3d14c6d-0f72-474f-91a0-bf60730d23af	2mct	2025-01-23 20:04:14	2025-01-23 22:20:44	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY	['5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2', '5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy', '5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ'] [ "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2", "5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy", "5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mct/5F4tQyWr/2025-01-23_20-04-13/2mct.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mct/5F4tQyWr/2025-01-23_20-04-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mct/5F4tQyWr/2025-01-23_20-04-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mct/5F4tQyWr/2025-01-23_20-04-13/2mct.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 315.11}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 315.11 }, "water": "amber14/tip3pfb.xml" }	-3474.2927	2025-01-23 21:25:28	600	5	1500	1.000000	5	['', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HeMZXU8/2025-01-23_22-20-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HN4zGAv/2025-01-23_22-20-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HNjFXXT/2025-01-23_22-20-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HHActHD/2025-01-23_22-20-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5DaVVLYY/2025-01-23_22-20-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5G9K3aZm/2025-01-23_22-20-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5GhHYpa2/2025-01-23_22-20-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5ExkyH3g/2025-01-23_22-20-51/md_0_1.cpt'] [ "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HeMZXU8/2025-01-23_22-20-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HN4zGAv/2025-01-23_22-20-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HNjFXXT/2025-01-23_22-20-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5HHActHD/2025-01-23_22-20-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5DaVVLYY/2025-01-23_22-20-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5G9K3aZm/2025-01-23_22-20-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5GhHYpa2/2025-01-23_22-20-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mct/5F4tQyWr/5ExkyH3g/2025-01-23_22-20-51/md_0_1.cpt" ]
10339	500a1e5d-190d-41f8-ba03-d817bf4eb289	7eo5	2025-01-23 20:01:18	2025-01-23 23:27:51	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ	['5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk', '5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC'] [ "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk", "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7eo5/5F2CsUDV/2025-01-23_20-01-16/7eo5.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7eo5/5F2CsUDV/2025-01-23_20-01-16/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7eo5/5F2CsUDV/2025-01-23_20-01-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7eo5/5F2CsUDV/2025-01-23_20-01-16/7eo5.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 303.15}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 303.15 }, "water": "charmm36/water.xml" }	-8566.5869	2025-01-23 21:47:44	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GehSP5B/2025-01-23_23-27-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5DEyuVfF/2025-01-23_23-28-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5Dka3Vh6/2025-01-23_23-28-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5EbgU56i/2025-01-23_23-28-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5FTzckmn/2025-01-23_23-28-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5EZJCvUK/2025-01-23_23-28-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GHdVT5q/2025-01-23_23-28-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5D2utUte/2025-01-23_23-28-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GNeDT2Z/2025-01-23_23-28-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GEhtD5B/2025-01-23_23-28-21/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GehSP5B/2025-01-23_23-27-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5DEyuVfF/2025-01-23_23-28-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5Dka3Vh6/2025-01-23_23-28-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5EbgU56i/2025-01-23_23-28-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5FTzckmn/2025-01-23_23-28-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5EZJCvUK/2025-01-23_23-28-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GHdVT5q/2025-01-23_23-28-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5D2utUte/2025-01-23_23-28-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GNeDT2Z/2025-01-23_23-28-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7eo5/5F2CsUDV/5GEhtD5B/2025-01-23_23-28-21/md_0_1.cpt" ]
10338	148d6aa3-ba2f-4bfe-b8a0-9cfe5be6220c	1cee	2025-01-23 20:00:54	2025-01-23 23:23:48	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV	['5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5DP1wQuncxXKD8igKo7ypRR6B2bxWPZesQZzr65UGqXJB6bz', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq'] [ "5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5DP1wQuncxXKD8igKo7ypRR6B2bxWPZesQZzr65UGqXJB6bz", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cee/5F2CsUDV/2025-01-23_20-00-51/1cee.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cee/5F2CsUDV/2025-01-23_20-00-51/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cee/5F2CsUDV/2025-01-23_20-00-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cee/5F2CsUDV/2025-01-23_20-00-51/1cee.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 235.11}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 235.11 }, "water": "charmm36/water.xml" }	-12051.2178	2025-01-23 21:43:45	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5G9vwUF5/2025-01-23_23-23-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5FH24sg8/2025-01-23_23-23-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5Grg3vXe/2025-01-23_23-23-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5Fv5nUTQ/2025-01-23_23-23-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5HYCRBVh/2025-01-23_23-23-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5DP1wQun/2025-01-23_23-23-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5C8aeZq1/2025-01-23_23-23-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5HZ1iqya/2025-01-23_23-23-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5HbmGqZk/2025-01-23_23-23-58/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5G9vwUF5/2025-01-23_23-23-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5FH24sg8/2025-01-23_23-23-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5Grg3vXe/2025-01-23_23-23-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5Fv5nUTQ/2025-01-23_23-23-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5HYCRBVh/2025-01-23_23-23-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5DP1wQun/2025-01-23_23-23-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5C8aeZq1/2025-01-23_23-23-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5HZ1iqya/2025-01-23_23-23-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cee/5F2CsUDV/5HbmGqZk/2025-01-23_23-23-58/md_0_1.cpt" ]
10336	3cfa99ee-4612-44cf-b964-73c8e41bc5c8	2pfl	2025-01-23 19:53:06	2025-01-23 22:54:32	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F	['5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n'] [ "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pfl/5F2CsUDV/2025-01-23_19-53-04/2pfl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pfl/5F2CsUDV/2025-01-23_19-53-04/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pfl/5F2CsUDV/2025-01-23_19-53-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pfl/5F2CsUDV/2025-01-23_19-53-04/2pfl.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 381.62}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 381.62 }, "water": "amber14/tip3pfb.xml" }	-107358.3828	2025-01-23 20:56:33	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5E2VPvK2/2025-01-23_22-54-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5EkYTG9y/2025-01-23_22-55-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5FkBB721/2025-01-23_22-55-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5E4Sun3n/2025-01-23_22-55-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5EcDLbvR/2025-01-23_22-55-08/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5DdAr5Uw/2025-01-23_22-55-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5FZoGG7x/2025-01-23_22-55-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5EWwHneX/2025-01-23_22-55-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5HonwvyF/2025-01-23_22-55-10/md_0_1_old.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5E2VPvK2/2025-01-23_22-54-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5EkYTG9y/2025-01-23_22-55-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5FkBB721/2025-01-23_22-55-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5E4Sun3n/2025-01-23_22-55-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5EcDLbvR/2025-01-23_22-55-08/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5DdAr5Uw/2025-01-23_22-55-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5FZoGG7x/2025-01-23_22-55-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5EWwHneX/2025-01-23_22-55-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2pfl/5F2CsUDV/5HonwvyF/2025-01-23_22-55-10/md_0_1_old.cpt" ]
10335	2e8bba73-6a23-492c-8fce-9d27005e64db	2dmf	2025-01-23 19:52:35	2025-01-23 22:49:52	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW	['5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk', '5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP'] [ "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk", "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dmf/5Cg5QgjM/2025-01-23_19-52-33/2dmf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dmf/5Cg5QgjM/2025-01-23_19-52-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dmf/5Cg5QgjM/2025-01-23_19-52-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dmf/5Cg5QgjM/2025-01-23_19-52-33/2dmf.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 247.33}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 247.33 }, "water": "amber14/tip3pfb.xml" }	-8625.6875	2025-01-23 21:20:47	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5EbgU56i/2025-01-23_22-49-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FkBB721/2025-01-23_22-49-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5DUmNo3Q/2025-01-23_22-49-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FBis2fY/2025-01-23_22-49-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5DFuo6i7/2025-01-23_22-49-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5G9vwUF5/2025-01-23_22-49-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FZoGG7x/2025-01-23_22-49-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5EkYTG9y/2025-01-23_22-49-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FTzckmn/2025-01-23_22-49-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5Gseg5jc/2025-01-23_22-49-55/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5EbgU56i/2025-01-23_22-49-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FkBB721/2025-01-23_22-49-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5DUmNo3Q/2025-01-23_22-49-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FBis2fY/2025-01-23_22-49-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5DFuo6i7/2025-01-23_22-49-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5G9vwUF5/2025-01-23_22-49-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FZoGG7x/2025-01-23_22-49-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5EkYTG9y/2025-01-23_22-49-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5FTzckmn/2025-01-23_22-49-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2dmf/5Cg5QgjM/5Gseg5jc/2025-01-23_22-49-55/md_0_1.cpt" ]
10334	f7ff0bed-6666-429c-a3d6-dd4a92a64925	1wih	2025-01-23 19:49:26	2025-01-23 22:38:34	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX	['5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX'] [ "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wih/5F2CsUDV/2025-01-23_19-49-24/1wih.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wih/5F2CsUDV/2025-01-23_19-49-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wih/5F2CsUDV/2025-01-23_19-49-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wih/5F2CsUDV/2025-01-23_19-49-24/1wih.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 324.52}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 324.52 }, "water": "amber14/tip3pfb.xml" }	-4913.1479	2025-01-23 21:24:44	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5C7LuavG/2025-01-23_22-38-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5HQV4JrB/2025-01-23_22-38-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5FeeZzWZ/2025-01-23_22-38-43/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5FPK4CeE/2025-01-23_22-38-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5EEvdk6d/2025-01-23_22-38-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5HTmcwCy/2025-01-23_22-38-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5HmiiHdA/2025-01-23_22-38-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5EEwj36U/2025-01-23_22-38-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5Do45VTZ/2025-01-23_22-38-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5GxMgpTj/2025-01-23_22-38-45/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5C7LuavG/2025-01-23_22-38-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5HQV4JrB/2025-01-23_22-38-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5FeeZzWZ/2025-01-23_22-38-43/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5FPK4CeE/2025-01-23_22-38-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5EEvdk6d/2025-01-23_22-38-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5HTmcwCy/2025-01-23_22-38-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5HmiiHdA/2025-01-23_22-38-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5EEwj36U/2025-01-23_22-38-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5Do45VTZ/2025-01-23_22-38-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wih/5F2CsUDV/5GxMgpTj/2025-01-23_22-38-45/md_0_1.cpt" ]
10333	6f916980-3b96-4f22-b61d-2a36945ed287	6k9w	2025-01-23 19:49:16	2025-01-23 22:22:52	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex	['5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw'] [ "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6k9w/5FFApaS7/2025-01-23_19-49-10/6k9w.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6k9w/5FFApaS7/2025-01-23_19-49-10/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6k9w/5FFApaS7/2025-01-23_19-49-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6k9w/5FFApaS7/2025-01-23_19-49-10/6k9w.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 368.61}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.93, "temperature": 368.61 }, "water": "charmm36/water.xml" }	-2148.1785	2025-01-23 21:55:30	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5FKxjBGc/2025-01-23_22-23-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GhHYpa2/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5DdAr5Uw/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GxjqYXt/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5CkvSoEP/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5CaPMXwr/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5HWFxVD3/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GpsZaPf/2025-01-23_22-23-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5Dce7pxY/2025-01-23_22-23-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5ENVJyUM/2025-01-23_22-23-05/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5FKxjBGc/2025-01-23_22-23-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GhHYpa2/2025-01-23_22-23-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5DdAr5Uw/2025-01-23_22-23-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GxjqYXt/2025-01-23_22-23-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5CkvSoEP/2025-01-23_22-23-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5CaPMXwr/2025-01-23_22-23-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5HWFxVD3/2025-01-23_22-23-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5GpsZaPf/2025-01-23_22-23-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5Dce7pxY/2025-01-23_22-23-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6k9w/5FFApaS7/5ENVJyUM/2025-01-23_22-23-05/md_0_1_old.cpt" ]
10332	6809e526-3db9-48b9-bced-6abfe303360a	8pbv	2025-01-23 19:45:04	2025-01-23 21:25:07	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4	['5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm'] [ "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5EEy7nWM91Gg5MewcEgqX8zKV6o42Vkz9oDV8ZoPk1kKx3bm" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pbv/5CzFiYvB/2025-01-23_19-45-02/8pbv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pbv/5CzFiYvB/2025-01-23_19-45-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pbv/5CzFiYvB/2025-01-23_19-45-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8pbv/5CzFiYvB/2025-01-23_19-45-02/8pbv.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 376.82}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 376.82 }, "water": "amber14/tip3pfb.xml" }	-9274.6084	2025-01-23 20:39:58	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5HYficC7/2025-01-23_21-25-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5DhNncUE/2025-01-23_21-25-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5EEwj36U/2025-01-23_21-25-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5GjSmYTj/2025-01-23_21-25-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5EEy7nWM/2025-01-23_21-25-14/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5HYficC7/2025-01-23_21-25-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5DhNncUE/2025-01-23_21-25-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5EEwj36U/2025-01-23_21-25-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5GjSmYTj/2025-01-23_21-25-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8pbv/5CzFiYvB/5EEy7nWM/2025-01-23_21-25-14/md_0_1.cpt" ]
10331	a5805f59-0f28-4721-8caf-f06b05dc016c	3hvx	2025-01-23 19:43:59	2025-01-23 21:28:42	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t	['5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2'] [ "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hvx/5HYk8DMK/2025-01-23_19-43-57/3hvx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hvx/5HYk8DMK/2025-01-23_19-43-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hvx/5HYk8DMK/2025-01-23_19-43-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hvx/5HYk8DMK/2025-01-23_19-43-57/3hvx.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 304.8}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 304.8 }, "water": "amber14/tip3pfb.xml" }	-47070.5352	2025-01-23 20:55:14	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5EnT7oy4/2025-01-23_21-28-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5Gseg5jc/2025-01-23_21-28-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5HpDuDJb/2025-01-23_21-28-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DyitGMU/2025-01-23_21-28-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5EWQ8WQh/2025-01-23_21-28-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DJ6gt2p/2025-01-23_21-28-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5C5mW9ze/2025-01-23_21-28-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DXiys3z/2025-01-23_21-29-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5CJmAajh/2025-01-23_21-29-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5Gbc1Dzo/2025-01-23_21-29-00/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5EnT7oy4/2025-01-23_21-28-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5Gseg5jc/2025-01-23_21-28-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5HpDuDJb/2025-01-23_21-28-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DyitGMU/2025-01-23_21-28-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5EWQ8WQh/2025-01-23_21-28-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DJ6gt2p/2025-01-23_21-28-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5C5mW9ze/2025-01-23_21-28-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5DXiys3z/2025-01-23_21-29-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5CJmAajh/2025-01-23_21-29-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hvx/5HYk8DMK/5Gbc1Dzo/2025-01-23_21-29-00/md_0_1.cpt" ]