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
1998	b647e093-4646-4ac6-ab37-3ca3aea6703e	6f3m	2025-01-13 02:35:04	2025-01-13 05:32:43	1	Yes	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx	['5FLhRCxnf3rxzcHzjKiAnWnUtbrcD1baebHUZKY2MYtXE8sh', '5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6'] [ "5FLhRCxnf3rxzcHzjKiAnWnUtbrcD1baebHUZKY2MYtXE8sh", "5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f3m/5FFApaS7/2025-01-13_02-35-03/6f3m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f3m/5FFApaS7/2025-01-13_02-35-03/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f3m/5FFApaS7/2025-01-13_02-35-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f3m/5FFApaS7/2025-01-13_02-35-03/6f3m.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 287.42}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 287.42 }, "water": "charmm36/water.xml" }	-78194.3203	2025-01-13 04:03:34	600	4	1500	1.000000	5	[''] [ "" ]
1997	03293891-9bc1-4c3e-9aec-62fbe6908275	1nvn	2025-01-13 02:29:19	2025-01-13 04:31:05	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2	['5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc'] [ "5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nvn/5Cg5QgjM/2025-01-13_02-29-17/1nvn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nvn/5Cg5QgjM/2025-01-13_02-29-17/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nvn/5Cg5QgjM/2025-01-13_02-29-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nvn/5Cg5QgjM/2025-01-13_02-29-17/1nvn.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 373.34}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 373.34 }, "water": "amber14/tip3pfb.xml" }	-5059.9600	2025-01-13 03:21:07	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5Fjs97W5/2025-01-13_04-31-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5DX8y4qK/2025-01-13_04-31-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5HonwvyF/2025-01-13_04-31-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5Gbc1Dzo/2025-01-13_04-31-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5F78McCX/2025-01-13_04-31-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5CY9apyj/2025-01-13_04-31-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5HdRGSwc/2025-01-13_04-31-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5DFuo6i7/2025-01-13_04-31-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5Ca47zJP/2025-01-13_04-31-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5DS3joaF/2025-01-13_04-31-15/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5Fjs97W5/2025-01-13_04-31-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5DX8y4qK/2025-01-13_04-31-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5HonwvyF/2025-01-13_04-31-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5Gbc1Dzo/2025-01-13_04-31-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5F78McCX/2025-01-13_04-31-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5CY9apyj/2025-01-13_04-31-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5HdRGSwc/2025-01-13_04-31-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5DFuo6i7/2025-01-13_04-31-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5Ca47zJP/2025-01-13_04-31-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nvn/5Cg5QgjM/5DS3joaF/2025-01-13_04-31-15/md_0_1.cpt" ]
1996	4ef27d41-d905-4f83-b4c8-3b3b445eb917	4fp6	2025-01-13 02:26:36	2025-01-13 05:18:47	1	Yes	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4	['5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w'] [ "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fp6/5FFApaS7/2025-01-13_02-26-36/4fp6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fp6/5FFApaS7/2025-01-13_02-26-36/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fp6/5FFApaS7/2025-01-13_02-26-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4fp6/5FFApaS7/2025-01-13_02-26-36/4fp6.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 323.8}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 323.8 }, "water": "amber14/tip3pfb.xml" }	-2466.8850	2025-01-13 03:46:34	600	4	1500	1.000000	5	[''] [ "" ]
1995	6edb3408-2924-4054-b71e-08583f72289d	7d4l	2025-01-13 02:25:44	2025-01-13 03:46:13	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb	['5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ', '5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh'] [ "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7d4l/5HYk8DMK/2025-01-13_02-25-42/7d4l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7d4l/5HYk8DMK/2025-01-13_02-25-42/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7d4l/5HYk8DMK/2025-01-13_02-25-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7d4l/5HYk8DMK/2025-01-13_02-25-42/7d4l.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 363.67}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 363.67 }, "water": "amber14/tip3pfb.xml" }	-8469.4053	2025-01-13 03:02:45	600	4	1500	1.000000	5	[''] [ "" ]
1994	e5d3027b-5fcc-42b3-bf31-89c5329ef16b	5x74	2025-01-13 02:21:26	2025-01-13 04:30:40	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3	['5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy'] [ "5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x74/5Cg5QgjM/2025-01-13_02-21-24/5x74.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x74/5Cg5QgjM/2025-01-13_02-21-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x74/5Cg5QgjM/2025-01-13_02-21-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x74/5Cg5QgjM/2025-01-13_02-21-24/5x74.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 367.39}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 367.39 }, "water": "amber14/tip3pfb.xml" }	-15226.4453	2025-01-13 03:20:47	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5GjSmYTj/2025-01-13_04-30-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5HYficC7/2025-01-13_04-30-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5Fs1deFx/2025-01-13_04-30-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5DST8S6N/2025-01-13_04-30-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5H1PLX45/2025-01-13_04-30-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5GH6U3JX/2025-01-13_04-30-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5FRHk95S/2025-01-13_04-30-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5DkonMmc/2025-01-13_04-30-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5CMHnFiW/2025-01-13_04-30-50/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5GjSmYTj/2025-01-13_04-30-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5HYficC7/2025-01-13_04-30-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5Fs1deFx/2025-01-13_04-30-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5DST8S6N/2025-01-13_04-30-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5H1PLX45/2025-01-13_04-30-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5GH6U3JX/2025-01-13_04-30-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5FRHk95S/2025-01-13_04-30-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5DkonMmc/2025-01-13_04-30-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x74/5Cg5QgjM/5CMHnFiW/2025-01-13_04-30-50/md_0_1.cpt" ]
1993	9c3aaad2-0fbe-4653-ba96-7e280684a184	7ofs	2025-01-13 02:21:19	2025-01-13 04:29:48	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH	['5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj'] [ "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ofs/5Cg5QgjM/2025-01-13_02-21-16/7ofs.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ofs/5Cg5QgjM/2025-01-13_02-21-16/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ofs/5Cg5QgjM/2025-01-13_02-21-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ofs/5Cg5QgjM/2025-01-13_02-21-16/7ofs.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 289.99}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 289.99 }, "water": "amber14/tip3pfb.xml" }	-24101.5957	2025-01-13 03:19:44	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CoEdgdk/2025-01-13_04-29-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CZtKjxZ/2025-01-13_04-29-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5HN5q9Fa/2025-01-13_04-30-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5FvepbgL/2025-01-13_04-30-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CAz8emp/2025-01-13_04-30-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CD6SYMs/2025-01-13_04-30-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5Do45VTZ/2025-01-13_04-30-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5DwDNtqh/2025-01-13_04-30-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5GGb3rhZ/2025-01-13_04-30-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5GNeDT2Z/2025-01-13_04-30-19/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CoEdgdk/2025-01-13_04-29-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CZtKjxZ/2025-01-13_04-29-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5HN5q9Fa/2025-01-13_04-30-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5FvepbgL/2025-01-13_04-30-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CAz8emp/2025-01-13_04-30-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5CD6SYMs/2025-01-13_04-30-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5Do45VTZ/2025-01-13_04-30-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5DwDNtqh/2025-01-13_04-30-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5GGb3rhZ/2025-01-13_04-30-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ofs/5Cg5QgjM/5GNeDT2Z/2025-01-13_04-30-19/md_0_1.cpt" ]
1992	563bf8a1-1dd9-4dd3-9a0b-f6fbd4221177	6a4f	2025-01-13 02:21:10	2025-01-13 04:28:42	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94	['5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL'] [ "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6a4f/5Cg5QgjM/2025-01-13_02-21-08/6a4f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6a4f/5Cg5QgjM/2025-01-13_02-21-08/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6a4f/5Cg5QgjM/2025-01-13_02-21-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6a4f/5Cg5QgjM/2025-01-13_02-21-08/6a4f.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 206.93}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 206.93 }, "water": "charmm36/water.xml" }	-16913.7578	2025-01-13 03:18:19	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5DndzPQR/2025-01-13_04-28-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5FEvCEPi/2025-01-13_04-28-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5DyitGMU/2025-01-13_04-28-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5HZ1iqya/2025-01-13_04-28-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5FWYXGNx/2025-01-13_04-28-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5GeFCh4z/2025-01-13_04-28-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5GbrDsYK/2025-01-13_04-28-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5HmPydX6/2025-01-13_04-28-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5EhxUCpu/2025-01-13_04-28-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5EaCbdDs/2025-01-13_04-28-57/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5DndzPQR/2025-01-13_04-28-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5FEvCEPi/2025-01-13_04-28-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5DyitGMU/2025-01-13_04-28-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5HZ1iqya/2025-01-13_04-28-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5FWYXGNx/2025-01-13_04-28-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5GeFCh4z/2025-01-13_04-28-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5GbrDsYK/2025-01-13_04-28-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5HmPydX6/2025-01-13_04-28-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5EhxUCpu/2025-01-13_04-28-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6a4f/5Cg5QgjM/5EaCbdDs/2025-01-13_04-28-57/md_0_1.cpt" ]
1991	04eaa09b-3496-4f7d-9751-709d64d97603	1xcp	2025-01-13 02:19:11	2025-01-13 04:26:23	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS	['5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og', '5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe'] [ "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xcp/5Cg5QgjM/2025-01-13_02-19-09/1xcp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xcp/5Cg5QgjM/2025-01-13_02-19-09/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xcp/5Cg5QgjM/2025-01-13_02-19-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xcp/5Cg5QgjM/2025-01-13_02-19-09/1xcp.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 296.91}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 296.91 }, "water": "amber14/tip3pfb.xml" }	-60332.3555	2025-01-13 03:38:11	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5CvYGBVf/2025-01-13_04-26-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5EycN1NE/2025-01-13_04-26-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5EjRpczo/2025-01-13_04-26-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5FFFNMin/2025-01-13_04-26-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5C7LuavG/2025-01-13_04-26-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5C8aeZq1/2025-01-13_04-26-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5CtCgQia/2025-01-13_04-26-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5EsKitVx/2025-01-13_04-26-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5DncSbVE/2025-01-13_04-26-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5FHTS8rc/2025-01-13_04-26-35/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5CvYGBVf/2025-01-13_04-26-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5EycN1NE/2025-01-13_04-26-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5EjRpczo/2025-01-13_04-26-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5FFFNMin/2025-01-13_04-26-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5C7LuavG/2025-01-13_04-26-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5C8aeZq1/2025-01-13_04-26-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5CtCgQia/2025-01-13_04-26-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5EsKitVx/2025-01-13_04-26-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5DncSbVE/2025-01-13_04-26-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xcp/5Cg5QgjM/5FHTS8rc/2025-01-13_04-26-35/md_0_1.cpt" ]
1990	f9d9baf3-88dd-4d74-870c-00bb892f272c	3j4j	2025-01-13 02:18:06	2025-01-13 03:45:37	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd	['5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF'] [ "5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j4j/5HYk8DMK/2025-01-13_02-18-04/3j4j.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j4j/5HYk8DMK/2025-01-13_02-18-04/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j4j/5HYk8DMK/2025-01-13_02-18-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j4j/5HYk8DMK/2025-01-13_02-18-04/3j4j.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 331.31}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 331.31 }, "water": "amber14/tip3pfb.xml" }	-48066.6992	2025-01-13 03:01:36	600	4	1500	1.000000	5	[''] [ "" ]
1960	eeee515a-4b48-4195-af8e-c065621684e7	1ggl	2025-01-13 02:15:37	2025-01-13 04:24:41	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko	['5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD', '5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS'] [ "5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD", "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ggl/5F4tQyWr/2025-01-13_02-15-36/1ggl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ggl/5F4tQyWr/2025-01-13_02-15-36/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ggl/5F4tQyWr/2025-01-13_02-15-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ggl/5F4tQyWr/2025-01-13_02-15-36/1ggl.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 352.95}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 352.95 }, "water": "amber14/tip3pfb.xml" }	-29061.6562	2025-01-13 03:31:14	600	4	1500	1.000000	5	[''] [ "" ]
1988	759254be-0396-4943-8637-3e917ab81aa1	2eo9	2025-01-13 02:12:52	2025-01-13 03:44:30	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd	['5C8dR6A6afdBga8D12qLHpczr2yYjKPctotQxTm5a76kUzYX', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd', '5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5GERuoBqGQjVmZvQTu53FEjw4nPEdfCR7nEt6aK1Ye2f45Ko', '5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp'] [ "5C8dR6A6afdBga8D12qLHpczr2yYjKPctotQxTm5a76kUzYX", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd", "5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5GERuoBqGQjVmZvQTu53FEjw4nPEdfCR7nEt6aK1Ye2f45Ko", "5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eo9/5HYk8DMK/2025-01-13_02-12-51/2eo9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eo9/5HYk8DMK/2025-01-13_02-12-51/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eo9/5HYk8DMK/2025-01-13_02-12-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eo9/5HYk8DMK/2025-01-13_02-12-51/2eo9.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 293.62}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 293.62 }, "water": "amber14/tip3pfb.xml" }	-9465.1934	2025-01-13 03:00:08	600	4	1500	1.000000	5	[''] [ "" ]
1987	ef629ed9-42e7-42a9-9676-8e71d3a8fac8	2l12	2025-01-13 02:11:11	2025-01-13 04:14:48	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1	['5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC'] [ "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l12/5F2CsUDV/2025-01-13_02-11-09/2l12.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l12/5F2CsUDV/2025-01-13_02-11-09/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l12/5F2CsUDV/2025-01-13_02-11-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2l12/5F2CsUDV/2025-01-13_02-11-09/2l12.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 311.44}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 311.44 }, "water": "amber14/tip3pfb.xml" }	-6486.9624	2025-01-13 02:59:20	600	4	1500	1.000000	5	[''] [ "" ]
1957	b7c129f7-7b59-4b06-87cd-17494d54de28	2spo	2025-01-13 02:09:10	2025-01-13 04:24:00	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2	['5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6', '5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr'] [ "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6", "5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2spo/5F4tQyWr/2025-01-13_02-09-09/2spo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2spo/5F4tQyWr/2025-01-13_02-09-09/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2spo/5F4tQyWr/2025-01-13_02-09-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2spo/5F4tQyWr/2025-01-13_02-09-09/2spo.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 271.64}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 271.64 }, "water": "amber14/tip3pfb.xml" }	-10525.7236	2025-01-13 03:30:34	600	4	1500	1.000000	5	[''] [ "" ]
1985	440165a0-b95f-4cba-aa76-3cc52d8f478b	1xpb	2025-01-13 02:06:16	2025-01-13 04:14:13	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy	['5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP', '5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94'] [ "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP", "5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xpb/5F2CsUDV/2025-01-13_02-06-13/1xpb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xpb/5F2CsUDV/2025-01-13_02-06-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xpb/5F2CsUDV/2025-01-13_02-06-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xpb/5F2CsUDV/2025-01-13_02-06-13/1xpb.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 388.55}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 388.55 }, "water": "charmm36/water.xml" }	-17612.9453	2025-01-13 02:58:04	600	4	1500	1.000000	5	[''] [ "" ]
1984	1e8a52a5-415a-48cd-81c3-992a6d0624ab	8ra2	2025-01-13 02:04:54	2025-01-13 03:43:58	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy	['5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G'] [ "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ra2/5HYk8DMK/2025-01-13_02-04-53/8ra2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ra2/5HYk8DMK/2025-01-13_02-04-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ra2/5HYk8DMK/2025-01-13_02-04-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8ra2/5HYk8DMK/2025-01-13_02-04-53/8ra2.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 375.43}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 375.43 }, "water": "charmm36/water.xml" }	-6371.9165	2025-01-13 02:59:03	600	4	1500	1.000000	5	[''] [ "" ]
1953	ffb29087-31f8-4f1e-8edb-61174ed91c05	4nq1	2025-01-13 02:04:04	2025-01-13 04:22:54	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP	['5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC'] [ "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nq1/5F4tQyWr/2025-01-13_02-04-02/4nq1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nq1/5F4tQyWr/2025-01-13_02-04-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nq1/5F4tQyWr/2025-01-13_02-04-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nq1/5F4tQyWr/2025-01-13_02-04-02/4nq1.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 327.62}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 327.62 }, "water": "charmm36/water.xml" }	-13900.4580	2025-01-13 03:29:47	600	4	1500	1.000000	5	[''] [ "" ]
1983	81449935-cbbb-468d-af22-8f0d2864cffa	6f9z	2025-01-13 02:03:13	2025-01-13 04:19:47	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7	['5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ'] [ "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f9z/5GKH9FPP/2025-01-13_02-03-11/6f9z.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f9z/5GKH9FPP/2025-01-13_02-03-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f9z/5GKH9FPP/2025-01-13_02-03-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6f9z/5GKH9FPP/2025-01-13_02-03-11/6f9z.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 295.07}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 295.07 }, "water": "amber14/tip3pfb.xml" }	-13329.7637	2025-01-13 03:29:01	600	4	1500	1.000000	5	[''] [ "" ]
1981	761a1a7f-d841-4e49-bbb8-3f4ba336b1bf	5ja3	2025-01-13 01:59:42	2025-01-13 03:57:53	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC	['5H1KPL1ybHobXtbhk2b3cYeFR3A3xfZnDRyuT5Sii181KizQ', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu', '5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ'] [ "5H1KPL1ybHobXtbhk2b3cYeFR3A3xfZnDRyuT5Sii181KizQ", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu", "5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ja3/5Cg5QgjM/2025-01-13_01-59-39/5ja3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ja3/5Cg5QgjM/2025-01-13_01-59-39/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ja3/5Cg5QgjM/2025-01-13_01-59-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5ja3/5Cg5QgjM/2025-01-13_01-59-39/5ja3.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 360.86}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 360.86 }, "water": "charmm36/water.xml" }	-56874.2617	2025-01-13 02:53:45	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5H1KPL1y/2025-01-13_03-58-00/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5H3NbTt2/2025-01-13_03-58-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5DX9BKGS/2025-01-13_03-58-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5HpvMUZG/2025-01-13_03-58-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5GehSP5B/2025-01-13_03-58-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5CkkTeB4/2025-01-13_03-58-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5DXoR5AN/2025-01-13_03-58-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5EUX8Kuc/2025-01-13_03-58-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5FFZBVP6/2025-01-13_03-58-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5FF48AEJ/2025-01-13_03-58-16/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5H1KPL1y/2025-01-13_03-58-00/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5H3NbTt2/2025-01-13_03-58-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5DX9BKGS/2025-01-13_03-58-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5HpvMUZG/2025-01-13_03-58-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5GehSP5B/2025-01-13_03-58-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5CkkTeB4/2025-01-13_03-58-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5DXoR5AN/2025-01-13_03-58-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5EUX8Kuc/2025-01-13_03-58-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5FFZBVP6/2025-01-13_03-58-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5ja3/5Cg5QgjM/5FF48AEJ/2025-01-13_03-58-16/md_0_1.cpt" ]
1980	60be5b5a-105f-4e3f-aadb-3d82cf64c0cb	2kx0	2025-01-13 01:59:39	2025-01-13 03:41:56	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau	['5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC'] [ "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kx0/5HYk8DMK/2025-01-13_01-59-38/2kx0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kx0/5HYk8DMK/2025-01-13_01-59-38/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kx0/5HYk8DMK/2025-01-13_01-59-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kx0/5HYk8DMK/2025-01-13_01-59-38/2kx0.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 206.99}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 206.99 }, "water": "amber14/tip3pfb.xml" }	-13621.9990	2025-01-13 02:56:35	600	4	1500	1.000000	5	[''] [ "" ]
1979	ab6f929d-ff99-4441-ad2f-f29b4117ff9f	5b4m	2025-01-13 01:59:16	2025-01-13 04:11:47	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e	['5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf'] [ "5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b4m/5F2CsUDV/2025-01-13_01-59-14/5b4m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b4m/5F2CsUDV/2025-01-13_01-59-14/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b4m/5F2CsUDV/2025-01-13_01-59-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5b4m/5F2CsUDV/2025-01-13_01-59-14/5b4m.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 203.44}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 203.44 }, "water": "amber14/tip3pfb.xml" }	-80426.1016	2025-01-13 03:32:02	600	4	1500	1.000000	5	[''] [ "" ]