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
10404	995f9c09-9f4c-472c-bd6c-38216793ea29	7lq9	2025-01-23 22:16:00	2025-01-23 23:29:12	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez	['5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj'] [ "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq9/5CzFiYvB/2025-01-23_22-15-58/7lq9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq9/5CzFiYvB/2025-01-23_22-15-58/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq9/5CzFiYvB/2025-01-23_22-15-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq9/5CzFiYvB/2025-01-23_22-15-58/7lq9.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 396.91}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 396.91 }, "water": "amber14/tip3pfb.xml" }	-17882.5840	2025-01-23 22:52:26	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5ENVJyUM/2025-01-23_23-29-17/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5Hh4RLJA/2025-01-23_23-29-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5CX1t6qK/2025-01-23_23-29-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5DyitGMU/2025-01-23_23-29-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5FPK4CeE/2025-01-23_23-29-19/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5ENVJyUM/2025-01-23_23-29-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5Hh4RLJA/2025-01-23_23-29-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5CX1t6qK/2025-01-23_23-29-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5DyitGMU/2025-01-23_23-29-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7lq9/5CzFiYvB/5FPK4CeE/2025-01-23_23-29-19/md_0_1.cpt" ]
10402	9bdd2c50-0e6c-472a-a16c-8d482d7cabee	6fd6	2025-01-23 21:55:57	2025-01-24 00:38:24	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F	['5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg'] [ "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fd6/5FFApaS7/2025-01-23_21-55-56/6fd6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fd6/5FFApaS7/2025-01-23_21-55-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fd6/5FFApaS7/2025-01-23_21-55-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fd6/5FFApaS7/2025-01-23_21-55-56/6fd6.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 258.03}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 258.03 }, "water": "amber14/tip3pfb.xml" }	-35387.3828	2025-01-23 23:21:21	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5HdRGSwc/2025-01-24_00-38-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5Fn13c2T/2025-01-24_00-38-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5CD6SYMs/2025-01-24_00-38-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5CX1t6qK/2025-01-24_00-38-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5FFZBVP6/2025-01-24_00-38-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5GjSmYTj/2025-01-24_00-38-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5Dyv2T3R/2025-01-24_00-38-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5GrmnoWJ/2025-01-24_00-38-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5E2VPvK2/2025-01-24_00-38-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5C8aeZq1/2025-01-24_00-38-42/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5HdRGSwc/2025-01-24_00-38-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5Fn13c2T/2025-01-24_00-38-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5CD6SYMs/2025-01-24_00-38-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5CX1t6qK/2025-01-24_00-38-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5FFZBVP6/2025-01-24_00-38-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5GjSmYTj/2025-01-24_00-38-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5Dyv2T3R/2025-01-24_00-38-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5GrmnoWJ/2025-01-24_00-38-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5E2VPvK2/2025-01-24_00-38-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fd6/5FFApaS7/5C8aeZq1/2025-01-24_00-38-42/md_0_1.cpt" ]
10401	aeeb7989-8b0a-4fbf-ab5b-fb99c1858195	5cig	2025-01-23 21:53:24	2025-01-24 00:30:05	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ	['5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD'] [ "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5cig/5HYk8DMK/2025-01-23_21-53-23/5cig.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5cig/5HYk8DMK/2025-01-23_21-53-23/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5cig/5HYk8DMK/2025-01-23_21-53-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5cig/5HYk8DMK/2025-01-23_21-53-23/5cig.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip3p.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 274.07}} { "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.07, "temperature": 274.07 }, "water": "amber14/tip3p.xml" }	-138533.9062	2025-01-23 23:14:43	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5HWFxVD3/2025-01-24_00-30-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5HdfzvTF/2025-01-24_00-30-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5C7LuavG/2025-01-24_00-30-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5DEyuVfF/2025-01-24_00-30-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5HYkJT1S/2025-01-24_00-30-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5CarftSX/2025-01-24_00-30-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5G6mzcBY/2025-01-24_00-30-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5GGb3rhZ/2025-01-24_00-30-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5FZoGG7x/2025-01-24_00-30-18/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5HWFxVD3/2025-01-24_00-30-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5HdfzvTF/2025-01-24_00-30-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5C7LuavG/2025-01-24_00-30-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5DEyuVfF/2025-01-24_00-30-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5HYkJT1S/2025-01-24_00-30-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5CarftSX/2025-01-24_00-30-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5G6mzcBY/2025-01-24_00-30-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5GGb3rhZ/2025-01-24_00-30-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5cig/5HYk8DMK/5FZoGG7x/2025-01-24_00-30-18/md_0_1.cpt" ]
10400	e3350a94-4824-4070-b658-d33f90c8470d	1ptz	2025-01-23 21:51:34	2025-01-23 23:28:26	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA	['5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2', '5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq', '5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p'] [ "5FRnnfyxtDizrTYuN2XHoMwPLmY1i11dwqC7oHHxxdQohqu2", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq", "5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ptz/5CzFiYvB/2025-01-23_21-51-32/1ptz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ptz/5CzFiYvB/2025-01-23_21-51-32/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ptz/5CzFiYvB/2025-01-23_21-51-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ptz/5CzFiYvB/2025-01-23_21-51-32/1ptz.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 375.77}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 375.77 }, "water": "charmm36/water.xml" }	-11224.9512	2025-01-23 22:51:11	600	7	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5Dc8cxYU/2025-01-23_23-28-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5Gbc1Dzo/2025-01-23_23-28-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5HbmGqZk/2025-01-23_23-28-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5HGZLfCa/2025-01-23_23-28-34/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5Dc8cxYU/2025-01-23_23-28-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5Gbc1Dzo/2025-01-23_23-28-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5HbmGqZk/2025-01-23_23-28-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ptz/5CzFiYvB/5HGZLfCa/2025-01-23_23-28-34/md_0_1.cpt" ]
10399	e42fb2e1-4641-482a-a0fc-34c73d6b86f6	2p3b	2025-01-23 21:51:15	2025-01-23 23:38:24	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT	['5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg'] [ "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2p3b/5CzFiYvB/2025-01-23_21-51-13/2p3b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2p3b/5CzFiYvB/2025-01-23_21-51-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2p3b/5CzFiYvB/2025-01-23_21-51-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2p3b/5CzFiYvB/2025-01-23_21-51-13/2p3b.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 294.6}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 294.6 }, "water": "amber14/tip3pfb.xml" }	-13428.7734	2025-01-23 23:03:57	600	8	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5C4xDki7/2025-01-23_23-38-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5FKYxVkM/2025-01-23_23-38-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5HTGnSe5/2025-01-23_23-38-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5DRY6eG3/2025-01-23_23-38-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5Gdn7dSR/2025-01-23_23-38-31/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5C4xDki7/2025-01-23_23-38-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5FKYxVkM/2025-01-23_23-38-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5HTGnSe5/2025-01-23_23-38-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5DRY6eG3/2025-01-23_23-38-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2p3b/5CzFiYvB/5Gdn7dSR/2025-01-23_23-38-31/md_0_1.cpt" ]
10398	8bfaca36-584b-49f4-a040-1c8dd6b76f3d	1iq4	2025-01-23 21:50:35	2025-01-24 00:27:08	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6	['5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG', '5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP', '5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC'] [ "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG", "5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP", "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iq4/5HYk8DMK/2025-01-23_21-50-34/1iq4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iq4/5HYk8DMK/2025-01-23_21-50-34/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iq4/5HYk8DMK/2025-01-23_21-50-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1iq4/5HYk8DMK/2025-01-23_21-50-34/1iq4.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 218.06}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 218.06 }, "water": "charmm36/water.xml" }	-29809.2285	2025-01-23 23:11:44	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5HN5q9Fa/2025-01-24_00-27-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5E4Sun3n/2025-01-24_00-27-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5E7u7wM5/2025-01-24_00-27-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5E9rJadE/2025-01-24_00-27-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5Hn6NVLW/2025-01-24_00-27-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5Ew6RyYq/2025-01-24_00-27-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5H1PLX45/2025-01-24_00-27-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5F6bUfiS/2025-01-24_00-27-17/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5CkkTeB4/2025-01-24_00-27-17/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5HN5q9Fa/2025-01-24_00-27-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5E4Sun3n/2025-01-24_00-27-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5E7u7wM5/2025-01-24_00-27-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5E9rJadE/2025-01-24_00-27-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5Hn6NVLW/2025-01-24_00-27-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5Ew6RyYq/2025-01-24_00-27-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5H1PLX45/2025-01-24_00-27-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5F6bUfiS/2025-01-24_00-27-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1iq4/5HYk8DMK/5CkkTeB4/2025-01-24_00-27-17/md_0_1.cpt" ]
10397	8af3c865-ef41-4ce7-9ed5-221a7146e59d	1uig	2025-01-23 21:49:32	2025-01-24 00:19:55	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK	['5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq'] [ "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uig/5GKH9FPP/2025-01-23_21-49-30/1uig.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uig/5GKH9FPP/2025-01-23_21-49-30/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uig/5GKH9FPP/2025-01-23_21-49-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uig/5GKH9FPP/2025-01-23_21-49-30/1uig.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 382.99}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 382.99 }, "water": "charmm36/water.xml" }	-8167.4785	2025-01-23 22:55:34	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5FBis2fY/2025-01-24_00-20-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5ESEfcCx/2025-01-24_00-20-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5EhomZa6/2025-01-24_00-20-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5EUX8Kuc/2025-01-24_00-20-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5ENVJyUM/2025-01-24_00-20-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5HHGSKLz/2025-01-24_00-20-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5C8aeZq1/2025-01-24_00-20-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5Ey8VdnS/2025-01-24_00-20-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5HN5q9Fa/2025-01-24_00-20-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5HbmGqZk/2025-01-24_00-20-17/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5FBis2fY/2025-01-24_00-20-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5ESEfcCx/2025-01-24_00-20-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5EhomZa6/2025-01-24_00-20-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5EUX8Kuc/2025-01-24_00-20-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5ENVJyUM/2025-01-24_00-20-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5HHGSKLz/2025-01-24_00-20-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5C8aeZq1/2025-01-24_00-20-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5Ey8VdnS/2025-01-24_00-20-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5HN5q9Fa/2025-01-24_00-20-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1uig/5GKH9FPP/5HbmGqZk/2025-01-24_00-20-17/md_0_1.cpt" ]
10396	be1b75a5-c91b-4309-bde0-05e66846f2b1	2ntv	2025-01-23 21:49:08	2025-01-23 23:02:56	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ	['5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv'] [ "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ntv/5CzFiYvB/2025-01-23_21-47-19/2ntv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ntv/5CzFiYvB/2025-01-23_21-47-19/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ntv/5CzFiYvB/2025-01-23_21-47-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ntv/5CzFiYvB/2025-01-23_21-47-19/2ntv.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 364.0}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 364.0 }, "water": "amber14/tip3pfb.xml" }	-30470.3242	2025-01-23 22:26:47	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5E4Sun3n/2025-01-23_23-03-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5GeHm4rw/2025-01-23_23-03-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5DP14rou/2025-01-23_23-03-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5HmPbPUa/2025-01-23_23-03-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5HU3t5Nc/2025-01-23_23-03-08/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5E4Sun3n/2025-01-23_23-03-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5GeHm4rw/2025-01-23_23-03-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5DP14rou/2025-01-23_23-03-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5HmPbPUa/2025-01-23_23-03-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ntv/5CzFiYvB/5HU3t5Nc/2025-01-23_23-03-08/md_0_1.cpt" ]
10395	eea7eda4-f3b3-4346-8216-b91a4b5edbf2	3t52	2025-01-23 21:48:07	2025-01-24 00:15:11	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC	['5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu'] [ "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t52/5GKH9FPP/2025-01-23_21-43-57/3t52.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t52/5GKH9FPP/2025-01-23_21-43-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t52/5GKH9FPP/2025-01-23_21-43-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t52/5GKH9FPP/2025-01-23_21-43-57/3t52.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 247.76}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 247.76 }, "water": "amber14/tip3pfb.xml" }	-124313.3438	2025-01-23 22:50:27	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5Fv5nUTQ/2025-01-24_00-15-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5CRrGY7J/2025-01-24_00-15-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5HdRGSwc/2025-01-24_00-15-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DRY6eG3/2025-01-24_00-15-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5GbtQBrz/2025-01-24_00-15-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DS3joaF/2025-01-24_00-15-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5H4BcoLo/2025-01-24_00-15-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DhNncUE/2025-01-24_00-15-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DkvT79z/2025-01-24_00-15-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5HjbTouu/2025-01-24_00-15-29/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5Fv5nUTQ/2025-01-24_00-15-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5CRrGY7J/2025-01-24_00-15-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5HdRGSwc/2025-01-24_00-15-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DRY6eG3/2025-01-24_00-15-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5GbtQBrz/2025-01-24_00-15-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DS3joaF/2025-01-24_00-15-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5H4BcoLo/2025-01-24_00-15-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DhNncUE/2025-01-24_00-15-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5DkvT79z/2025-01-24_00-15-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t52/5GKH9FPP/5HjbTouu/2025-01-24_00-15-29/md_0_1.cpt" ]
10394	2bd14189-3bd7-4fc4-98ba-b80da449caee	1kx6	2025-01-23 21:45:53	2025-01-23 23:01:50	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w	['5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w'] [ "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kx6/5CzFiYvB/2025-01-23_21-45-51/1kx6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kx6/5CzFiYvB/2025-01-23_21-45-51/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kx6/5CzFiYvB/2025-01-23_21-45-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kx6/5CzFiYvB/2025-01-23_21-45-51/1kx6.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 311.94}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 311.94 }, "water": "amber14/tip3pfb.xml" }	-2997.0562	2025-01-23 22:34:05	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5DhhnQF1/2025-01-23_23-01-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5EZJCvUK/2025-01-23_23-01-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5HEBtdd3/2025-01-23_23-01-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5G27Crdi/2025-01-23_23-01-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5EhomZa6/2025-01-23_23-01-58/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5DhhnQF1/2025-01-23_23-01-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5EZJCvUK/2025-01-23_23-01-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5HEBtdd3/2025-01-23_23-01-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5G27Crdi/2025-01-23_23-01-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kx6/5CzFiYvB/5EhomZa6/2025-01-23_23-01-58/md_0_1.cpt" ]
10393	6e8e8037-60c8-49ea-9d14-a482f77fd33f	8djs	2025-01-23 21:45:49	2025-01-23 23:56:50	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti	['5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb'] [ "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8djs/5Cg5QgjM/2025-01-23_21-45-47/8djs.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8djs/5Cg5QgjM/2025-01-23_21-45-47/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8djs/5Cg5QgjM/2025-01-23_21-45-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8djs/5Cg5QgjM/2025-01-23_21-45-47/8djs.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 225.48}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 225.48 }, "water": "charmm36/water.xml" }	-14253.9473	2025-01-23 23:02:22	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5CaPMXwr/2025-01-23_23-56-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5FjT2qPt/2025-01-23_23-56-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5DXXiX9i/2025-01-23_23-56-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5FHgDbX7/2025-01-23_23-57-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5HYVRNRE/2025-01-23_23-57-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5HTmcwCy/2025-01-23_23-57-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5DyitGMU/2025-01-23_23-57-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5Eq9hKu9/2025-01-23_23-57-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5EycN1NE/2025-01-23_23-57-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5G9WyBQN/2025-01-23_23-57-11/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5CaPMXwr/2025-01-23_23-56-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5FjT2qPt/2025-01-23_23-56-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5DXXiX9i/2025-01-23_23-56-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5FHgDbX7/2025-01-23_23-57-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5HYVRNRE/2025-01-23_23-57-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5HTmcwCy/2025-01-23_23-57-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5DyitGMU/2025-01-23_23-57-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5Eq9hKu9/2025-01-23_23-57-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5EycN1NE/2025-01-23_23-57-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8djs/5Cg5QgjM/5G9WyBQN/2025-01-23_23-57-11/md_0_1.cpt" ]
10392	1af0abb7-115f-4ee7-a362-0de9261acc8a	2krb	2025-01-23 21:39:25	2025-01-24 00:13:41	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp	['5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5'] [ "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2krb/5F2CsUDV/2025-01-23_21-39-23/2krb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2krb/5F2CsUDV/2025-01-23_21-39-23/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2krb/5F2CsUDV/2025-01-23_21-39-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2krb/5F2CsUDV/2025-01-23_21-39-23/2krb.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 367.64}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.1, "temperature": 367.64 }, "water": "charmm36/water.xml" }	-6908.4668	2025-01-23 23:18:01	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5G6mzcBY/2025-01-24_00-13-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GjWuUXL/2025-01-24_00-13-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5ENZdoRq/2025-01-24_00-14-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5FqatghH/2025-01-24_00-14-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GutyMJ2/2025-01-24_00-14-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5HN4zGAv/2025-01-24_00-14-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GvDM9XH/2025-01-24_00-14-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GR4rEwj/2025-01-24_00-14-04/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5ESEfcCx/2025-01-24_00-14-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5G9iNxym/2025-01-24_00-14-04/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5G6mzcBY/2025-01-24_00-13-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GjWuUXL/2025-01-24_00-13-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5ENZdoRq/2025-01-24_00-14-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5FqatghH/2025-01-24_00-14-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GutyMJ2/2025-01-24_00-14-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5HN4zGAv/2025-01-24_00-14-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GvDM9XH/2025-01-24_00-14-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5GR4rEwj/2025-01-24_00-14-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5ESEfcCx/2025-01-24_00-14-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2krb/5F2CsUDV/5G9iNxym/2025-01-24_00-14-04/md_0_1.cpt" ]
10391	fb6fc529-ab78-4ef8-86d0-293ba16ab2df	3f58	2025-01-23 21:37:53	2025-01-24 00:10:02	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt	['5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF'] [ "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f58/5HYk8DMK/2025-01-23_21-36-13/3f58.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f58/5HYk8DMK/2025-01-23_21-36-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f58/5HYk8DMK/2025-01-23_21-36-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3f58/5HYk8DMK/2025-01-23_21-36-13/3f58.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 238.67}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 238.67 }, "water": "amber14/tip3pfb.xml" }	-37506.5117	2025-01-23 22:32:02	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5DhNncUE/2025-01-24_00-10-08/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5Eq9hKu9/2025-01-24_00-10-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5ENVJyUM/2025-01-24_00-10-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5HonwvyF/2025-01-24_00-10-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5CtCgQia/2025-01-24_00-10-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5C5mW9ze/2025-01-24_00-10-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5EhxUCpu/2025-01-24_00-10-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5Ec4Vqsh/2025-01-24_00-10-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5FF48AEJ/2025-01-24_00-10-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5DXvZ6kW/2025-01-24_00-10-24/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5DhNncUE/2025-01-24_00-10-08/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5Eq9hKu9/2025-01-24_00-10-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5ENVJyUM/2025-01-24_00-10-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5HonwvyF/2025-01-24_00-10-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5CtCgQia/2025-01-24_00-10-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5C5mW9ze/2025-01-24_00-10-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5EhxUCpu/2025-01-24_00-10-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5Ec4Vqsh/2025-01-24_00-10-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5FF48AEJ/2025-01-24_00-10-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3f58/5HYk8DMK/5DXvZ6kW/2025-01-24_00-10-24/md_0_1.cpt" ]
10358	8fed8e5b-2779-49c1-ab92-a0fd8cf7e638	1yge	2025-01-23 21:36:25	2025-01-23 23:35:46	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ	['5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ'] [ "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5EqEJuYcPvCb6NYcbVXzxD5e8xaGuhapDeugJJk6m69NrADE", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yge/5F4tQyWr/2025-01-23_21-36-24/1yge.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yge/5F4tQyWr/2025-01-23_21-36-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yge/5F4tQyWr/2025-01-23_21-36-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yge/5F4tQyWr/2025-01-23_21-36-24/1yge.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 325.04}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 325.04 }, "water": "amber14/tip3pfb.xml" }	-60161.3203	2025-01-23 22:47:08	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5GehSP5B/2025-01-23_23-35-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5CD6SYMs/2025-01-23_23-35-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5EqEJuYc/2025-01-23_23-35-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5EjRpczo/2025-01-23_23-35-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5FvepbgL/2025-01-23_23-35-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5HdRGSwc/2025-01-23_23-35-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5DyitGMU/2025-01-23_23-35-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5FdvaRoH/2025-01-23_23-35-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5C7LuavG/2025-01-23_23-35-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5CouGodv/2025-01-23_23-35-55/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5GehSP5B/2025-01-23_23-35-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5CD6SYMs/2025-01-23_23-35-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5EqEJuYc/2025-01-23_23-35-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5EjRpczo/2025-01-23_23-35-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5FvepbgL/2025-01-23_23-35-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5HdRGSwc/2025-01-23_23-35-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5DyitGMU/2025-01-23_23-35-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5FdvaRoH/2025-01-23_23-35-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5C7LuavG/2025-01-23_23-35-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yge/5F4tQyWr/5CouGodv/2025-01-23_23-35-55/md_0_1.cpt" ]
10390	6737d976-6c58-4f17-8b47-73807929e057	5not	2025-01-23 21:36:19	2025-01-23 23:53:34	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ	['5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF'] [ "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5not/5Cg5QgjM/2025-01-23_21-36-17/5not.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5not/5Cg5QgjM/2025-01-23_21-36-17/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5not/5Cg5QgjM/2025-01-23_21-36-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5not/5Cg5QgjM/2025-01-23_21-36-17/5not.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 394.89}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 394.89 }, "water": "amber14/tip3pfb.xml" }	-10483.7480	2025-01-23 22:59:19	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5HotM239/2025-01-23_23-53-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5Gbc1Dzo/2025-01-23_23-53-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5DsnAEMX/2025-01-23_23-53-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5DP14rou/2025-01-23_23-53-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5GxgkVRW/2025-01-23_23-53-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5EsKXx7M/2025-01-23_23-53-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5GNfrcEs/2025-01-23_23-53-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5DEyuVfF/2025-01-23_23-53-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5FeeZzWZ/2025-01-23_23-53-45/md_0_1_old.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5HotM239/2025-01-23_23-53-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5Gbc1Dzo/2025-01-23_23-53-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5DsnAEMX/2025-01-23_23-53-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5DP14rou/2025-01-23_23-53-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5GxgkVRW/2025-01-23_23-53-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5EsKXx7M/2025-01-23_23-53-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5GNfrcEs/2025-01-23_23-53-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5DEyuVfF/2025-01-23_23-53-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5not/5Cg5QgjM/5FeeZzWZ/2025-01-23_23-53-45/md_0_1_old.cpt" ]
10389	d295a858-c019-4c95-ad80-541e6815e003	2rm4	2025-01-23 21:36:11	2025-01-24 00:02:18	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh	['5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh'] [ "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm4/5GKH9FPP/2025-01-23_21-36-09/2rm4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm4/5GKH9FPP/2025-01-23_21-36-09/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm4/5GKH9FPP/2025-01-23_21-36-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2rm4/5GKH9FPP/2025-01-23_21-36-09/2rm4.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 283.35}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 283.35 }, "water": "charmm36/water.xml" }	-4348.0503	2025-01-23 22:47:35	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5CMEJjrh/2025-01-24_00-02-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5G9WyBQN/2025-01-24_00-02-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5FNEiDZG/2025-01-24_00-02-29/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5HKMcnD5/2025-01-24_00-02-29/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5DcKLuwD/2025-01-24_00-02-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5CX1t6qK/2025-01-24_00-02-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5CcabLox/2025-01-24_00-02-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5DFWAKb5/2025-01-24_00-02-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5EcntL3e/2025-01-24_00-02-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5Gurm68i/2025-01-24_00-02-35/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5CMEJjrh/2025-01-24_00-02-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5G9WyBQN/2025-01-24_00-02-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5FNEiDZG/2025-01-24_00-02-29/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5HKMcnD5/2025-01-24_00-02-29/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5DcKLuwD/2025-01-24_00-02-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5CX1t6qK/2025-01-24_00-02-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5CcabLox/2025-01-24_00-02-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5DFWAKb5/2025-01-24_00-02-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5EcntL3e/2025-01-24_00-02-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2rm4/5GKH9FPP/5Gurm68i/2025-01-24_00-02-35/md_0_1.cpt" ]
10386	696cb42a-1ce4-4026-b8d9-df283b0f3626	2cg6	2025-01-23 21:34:52	2025-01-23 23:59:05	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5	['5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj', '5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW', '5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5', '5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J'] [ "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj", "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW", "5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5", "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cg6/5GKH9FPP/2025-01-23_21-34-50/2cg6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cg6/5GKH9FPP/2025-01-23_21-34-50/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cg6/5GKH9FPP/2025-01-23_21-34-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cg6/5GKH9FPP/2025-01-23_21-34-50/2cg6.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 218.53}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 218.53 }, "water": "amber14/tip3pfb.xml" }	-10653.6279	2025-01-23 22:44:15	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5FPK4CeE/2025-01-23_23-59-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5DvtSoBC/2025-01-23_23-59-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5G9iNxym/2025-01-23_23-59-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5F1boa8C/2025-01-23_23-59-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5CtCgQia/2025-01-23_23-59-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5EcFV1Tp/2025-01-23_23-59-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5FkBB721/2025-01-23_23-59-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5E7u7wM5/2025-01-23_23-59-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5HYficC7/2025-01-23_23-59-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5GHdVT5q/2025-01-23_23-59-15/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5FPK4CeE/2025-01-23_23-59-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5DvtSoBC/2025-01-23_23-59-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5G9iNxym/2025-01-23_23-59-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5F1boa8C/2025-01-23_23-59-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5CtCgQia/2025-01-23_23-59-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5EcFV1Tp/2025-01-23_23-59-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5FkBB721/2025-01-23_23-59-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5E7u7wM5/2025-01-23_23-59-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5HYficC7/2025-01-23_23-59-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cg6/5GKH9FPP/5GHdVT5q/2025-01-23_23-59-15/md_0_1.cpt" ]
10385	922cb75a-113e-4b0d-a1ad-3ed2a5500b65	1ne9	2025-01-23 21:34:41	2025-01-23 23:52:04	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH	['5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs'] [ "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ne9/5Cg5QgjM/2025-01-23_21-34-38/1ne9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ne9/5Cg5QgjM/2025-01-23_21-34-38/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ne9/5Cg5QgjM/2025-01-23_21-34-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ne9/5Cg5QgjM/2025-01-23_21-34-38/1ne9.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 268.11}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 268.11 }, "water": "charmm36/water.xml" }	-17488.5840	2025-01-23 23:12:09	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5EjRpczo/2025-01-23_23-52-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5FvepbgL/2025-01-23_23-52-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5GeFCh4z/2025-01-23_23-52-17/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5C7LuavG/2025-01-23_23-52-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5HmiiHdA/2025-01-23_23-52-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5Gxq2tRq/2025-01-23_23-52-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5EZJCvUK/2025-01-23_23-52-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5CkkTeB4/2025-01-23_23-52-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5DX8y4qK/2025-01-23_23-52-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5FxpkNkq/2025-01-23_23-52-19/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5EjRpczo/2025-01-23_23-52-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5FvepbgL/2025-01-23_23-52-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5GeFCh4z/2025-01-23_23-52-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5C7LuavG/2025-01-23_23-52-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5HmiiHdA/2025-01-23_23-52-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5Gxq2tRq/2025-01-23_23-52-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5EZJCvUK/2025-01-23_23-52-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5CkkTeB4/2025-01-23_23-52-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5DX8y4qK/2025-01-23_23-52-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ne9/5Cg5QgjM/5FxpkNkq/2025-01-23_23-52-19/md_0_1_old.cpt" ]
10384	b0129800-b0a4-4601-9914-87c49e75f36a	2adl	2025-01-23 21:34:06	2025-01-24 00:07:42	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6	['5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF'] [ "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2adl/5HYk8DMK/2025-01-23_21-34-05/2adl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2adl/5HYk8DMK/2025-01-23_21-34-05/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2adl/5HYk8DMK/2025-01-23_21-34-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2adl/5HYk8DMK/2025-01-23_21-34-05/2adl.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 281.3}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 281.3 }, "water": "amber14/tip3pfb.xml" }	-21053.8418	2025-01-23 22:30:06	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5GNfrcEs/2025-01-24_00-07-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5HZ1iqya/2025-01-24_00-07-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5EcntL3e/2025-01-24_00-07-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5G27Crdi/2025-01-24_00-07-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FvepbgL/2025-01-24_00-07-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FHgDbX7/2025-01-24_00-07-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5Do45VTZ/2025-01-24_00-08-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FPK4CeE/2025-01-24_00-08-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5DST8S6N/2025-01-24_00-08-04/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FeeZzWZ/2025-01-24_00-08-05/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5GNfrcEs/2025-01-24_00-07-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5HZ1iqya/2025-01-24_00-07-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5EcntL3e/2025-01-24_00-07-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5G27Crdi/2025-01-24_00-07-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FvepbgL/2025-01-24_00-07-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FHgDbX7/2025-01-24_00-07-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5Do45VTZ/2025-01-24_00-08-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FPK4CeE/2025-01-24_00-08-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5DST8S6N/2025-01-24_00-08-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2adl/5HYk8DMK/5FeeZzWZ/2025-01-24_00-08-05/md_0_1_old.cpt" ]
10383	19b8a4e7-29a2-4408-8867-33ad833dc03b	3niu	2025-01-23 21:29:49	2025-01-24 00:36:30	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY	['5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE', '5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8', '5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ'] [ "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE", "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8", "5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3niu/5FFApaS7/2025-01-23_21-29-42/3niu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3niu/5FFApaS7/2025-01-23_21-29-42/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3niu/5FFApaS7/2025-01-23_21-29-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3niu/5FFApaS7/2025-01-23_21-29-42/3niu.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 231.5}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 231.5 }, "water": "amber14/tip3pfb.xml" }	-130663.4844	2025-01-23 23:41:03	600	6	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5HdtUhXT/2025-01-24_00-36-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5HeMZXU8/2025-01-24_00-36-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5GbtQBrz/2025-01-24_00-36-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5EEwj36U/2025-01-24_00-36-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5Hh4RLJA/2025-01-24_00-36-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5GTWqP6S/2025-01-24_00-36-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5FF48AEJ/2025-01-24_00-36-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5D8JdLSr/2025-01-24_00-36-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5EWQ8WQh/2025-01-24_00-36-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5F9nfJQE/2025-01-24_00-36-39/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5HdtUhXT/2025-01-24_00-36-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5HeMZXU8/2025-01-24_00-36-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5GbtQBrz/2025-01-24_00-36-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5EEwj36U/2025-01-24_00-36-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5Hh4RLJA/2025-01-24_00-36-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5GTWqP6S/2025-01-24_00-36-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5FF48AEJ/2025-01-24_00-36-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5D8JdLSr/2025-01-24_00-36-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5EWQ8WQh/2025-01-24_00-36-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3niu/5FFApaS7/5F9nfJQE/2025-01-24_00-36-39/md_0_1.cpt" ]