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
16978	641c93c1-6908-4be3-9fd6-727b6166aa0f	8d5z	2025-02-02 02:39:01	2025-02-02 05:05:55	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY	['5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY', '5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM'] [ "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5HeMZXU8GLoGnkd7sm82xTQpJzVqwQ7DdvVdYD7r5CNRygBY", "5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8d5z/5GKH9FPP/2025-02-02_02-38-59/8d5z.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8d5z/5GKH9FPP/2025-02-02_02-38-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8d5z/5GKH9FPP/2025-02-02_02-38-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8d5z/5GKH9FPP/2025-02-02_02-38-59/8d5z.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 339.98}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 339.98 }, "water": "charmm36/water.xml" }	-8976.2783	2025-02-02 03:49:54	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5CHpNaFM/2025-02-02_05-06-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HonwvyF/2025-02-02_05-06-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5H5wXPTT/2025-02-02_05-06-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5DU7YwrR/2025-02-02_05-06-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HeMZXU8/2025-02-02_05-06-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HotM239/2025-02-02_05-06-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5H3uS2zM/2025-02-02_05-06-08/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HdRGSwc/2025-02-02_05-06-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5Ey8VdnS/2025-02-02_05-06-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5ES6G8x2/2025-02-02_05-06-09/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5CHpNaFM/2025-02-02_05-06-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HonwvyF/2025-02-02_05-06-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5H5wXPTT/2025-02-02_05-06-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5DU7YwrR/2025-02-02_05-06-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HeMZXU8/2025-02-02_05-06-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HotM239/2025-02-02_05-06-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5H3uS2zM/2025-02-02_05-06-08/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5HdRGSwc/2025-02-02_05-06-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5Ey8VdnS/2025-02-02_05-06-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8d5z/5GKH9FPP/5ES6G8x2/2025-02-02_05-06-09/md_0_1.cpt" ]
16977	7c4cb500-cae2-44aa-9810-f635953e6e65	2out	2025-02-02 02:37:28	2025-02-02 03:51:03	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p	['5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB', '5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p'] [ "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB", "5HGZLfCaW9SrCVNWsbQcfSCXSUgvfbvkDs6qtQtCeKKrJj7p" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2out/5CzFiYvB/2025-02-02_02-36-55/2out.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2out/5CzFiYvB/2025-02-02_02-36-55/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2out/5CzFiYvB/2025-02-02_02-36-55/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2out/5CzFiYvB/2025-02-02_02-36-55/2out.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 378.99}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 378.99 }, "water": "amber14/tip3pfb.xml" }	-11424.1387	2025-02-02 03:18:54	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5EjRpczo/2025-02-02_03-51-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5HdtUhXT/2025-02-02_03-51-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5F6bUfiS/2025-02-02_03-51-15/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5HGZLfCa/2025-02-02_03-51-15/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5EjRpczo/2025-02-02_03-51-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5HdtUhXT/2025-02-02_03-51-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5F6bUfiS/2025-02-02_03-51-15/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2out/5CzFiYvB/5HGZLfCa/2025-02-02_03-51-15/md_0_1.cpt" ]
16976	80620f0f-2d1f-4ee9-9958-fdab2c0e5e2a	5dsd	2025-02-02 02:35:44	2025-02-02 03:50:02	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ	['5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT'] [ "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5dsd/5CzFiYvB/2025-02-02_02-35-43/5dsd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5dsd/5CzFiYvB/2025-02-02_02-35-43/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5dsd/5CzFiYvB/2025-02-02_02-35-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5dsd/5CzFiYvB/2025-02-02_02-35-43/5dsd.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 351.44}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 351.44 }, "water": "amber14/tip3pfb.xml" }	-4546.3413	2025-02-02 03:18:26	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5FF48AEJ/2025-02-02_03-50-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5FLh1jsy/2025-02-02_03-50-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5DXvZ6kW/2025-02-02_03-50-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5CJmAajh/2025-02-02_03-50-09/md_0_1_old.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5FF48AEJ/2025-02-02_03-50-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5FLh1jsy/2025-02-02_03-50-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5DXvZ6kW/2025-02-02_03-50-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5dsd/5CzFiYvB/5CJmAajh/2025-02-02_03-50-09/md_0_1_old.cpt" ]
16975	14616590-9fdd-4a2e-8812-435aad745e27	1ehd	2025-02-02 02:35:10	2025-02-02 05:09:48	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227	['5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk', '5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3'] [ "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk", "5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ehd/5Cg5QgjM/2025-02-02_02-35-08/1ehd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ehd/5Cg5QgjM/2025-02-02_02-35-08/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ehd/5Cg5QgjM/2025-02-02_02-35-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ehd/5Cg5QgjM/2025-02-02_02-35-08/1ehd.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 209.63}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 209.63 }, "water": "charmm36/water.xml" }	-7542.1904	2025-02-02 03:41:35	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5EEvdk6d/2025-02-02_05-09-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5Fs8ex9e/2025-02-02_05-09-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5FTzckmn/2025-02-02_05-09-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5CSqSvkr/2025-02-02_05-09-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5DUBJXqH/2025-02-02_05-09-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5GeHm4rw/2025-02-02_05-09-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5GutyMJ2/2025-02-02_05-09-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5C4xDki7/2025-02-02_05-09-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5CtCgQia/2025-02-02_05-09-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5H5wXPTT/2025-02-02_05-09-59/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5EEvdk6d/2025-02-02_05-09-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5Fs8ex9e/2025-02-02_05-09-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5FTzckmn/2025-02-02_05-09-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5CSqSvkr/2025-02-02_05-09-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5DUBJXqH/2025-02-02_05-09-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5GeHm4rw/2025-02-02_05-09-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5GutyMJ2/2025-02-02_05-09-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5C4xDki7/2025-02-02_05-09-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5CtCgQia/2025-02-02_05-09-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ehd/5Cg5QgjM/5H5wXPTT/2025-02-02_05-09-59/md_0_1_old.cpt" ]
16974	bc968761-b927-43eb-a568-80363818fae5	2jpt	2025-02-02 02:33:19	2025-02-02 06:37:53	1	No	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ	['5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML', '5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ'] [ "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jpt/5HEo565W/2025-02-02_02-33-18/2jpt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jpt/5HEo565W/2025-02-02_02-33-18/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jpt/5HEo565W/2025-02-02_02-33-18/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2jpt/5HEo565W/2025-02-02_02-33-18/2jpt.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/opc3.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 253.23}} { "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.09, "temperature": 253.23 }, "water": "amber14/opc3.xml" }	-20309.4629	2025-02-02 05:04:32	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5FZEixsS/2025-02-02_06-37-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5FcDSsb4/2025-02-02_06-37-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5CaUeYYY/2025-02-02_06-37-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5EhxUCpu/2025-02-02_06-37-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5C5BrEUX/2025-02-02_06-37-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5GeFCh4z/2025-02-02_06-37-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5GutyMJ2/2025-02-02_06-37-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5CV8vqhD/2025-02-02_06-37-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5CkvSoEP/2025-02-02_06-37-59/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5FZEixsS/2025-02-02_06-37-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5FcDSsb4/2025-02-02_06-37-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5CaUeYYY/2025-02-02_06-37-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5EhxUCpu/2025-02-02_06-37-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5C5BrEUX/2025-02-02_06-37-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5GeFCh4z/2025-02-02_06-37-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5GutyMJ2/2025-02-02_06-37-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5CV8vqhD/2025-02-02_06-37-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2jpt/5HEo565W/5CkvSoEP/2025-02-02_06-37-59/md_0_1.cpt" ]
16973	8582317b-a4ef-4cc1-b52a-e4bbffa3e386	1z60	2025-02-02 02:32:47	2025-02-02 04:46:59	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp	['5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs', '5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ'] [ "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs", "5EsK8GE1Kd5xpZeBi4yGyP1BLHLPD4ma3oXdyVNHpsWNtykp", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z60/5FFApaS7/2025-02-02_02-32-46/1z60.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z60/5FFApaS7/2025-02-02_02-32-46/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z60/5FFApaS7/2025-02-02_02-32-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1z60/5FFApaS7/2025-02-02_02-32-46/1z60.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 223.71}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 223.71 }, "water": "amber14/tip3pfb.xml" }	-2281.3469	2025-02-02 03:45:46	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5FkBB721/2025-02-02_04-47-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5E7u7wM5/2025-02-02_04-47-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5CHpNaFM/2025-02-02_04-47-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5Dka3Vh6/2025-02-02_04-47-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5FxpkNkq/2025-02-02_04-47-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5EsK8GE1/2025-02-02_04-47-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5Ca47zJP/2025-02-02_04-47-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5CAz8emp/2025-02-02_04-47-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5FdvaRoH/2025-02-02_04-47-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5CkvSoEP/2025-02-02_04-47-07/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5FkBB721/2025-02-02_04-47-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5E7u7wM5/2025-02-02_04-47-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5CHpNaFM/2025-02-02_04-47-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5Dka3Vh6/2025-02-02_04-47-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5FxpkNkq/2025-02-02_04-47-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5EsK8GE1/2025-02-02_04-47-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5Ca47zJP/2025-02-02_04-47-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5CAz8emp/2025-02-02_04-47-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5FdvaRoH/2025-02-02_04-47-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1z60/5FFApaS7/5CkvSoEP/2025-02-02_04-47-07/md_0_1.cpt" ]
16971	c006d0ce-a453-4d09-b09d-84c7df66506d	1and	2025-02-02 02:27:01	2025-02-02 05:18:26	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5	['5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5DP1wQuncxXKD8igKo7ypRR6B2bxWPZesQZzr65UGqXJB6bz', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb'] [ "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5FdvaRoHRkGrKVXsdNaFoTRzX14zrEen6G2dwBZpmEXzwGdZ", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5DP1wQuncxXKD8igKo7ypRR6B2bxWPZesQZzr65UGqXJB6bz", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1and/5HYk8DMK/2025-02-02_02-26-59/1and.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1and/5HYk8DMK/2025-02-02_02-26-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1and/5HYk8DMK/2025-02-02_02-26-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1and/5HYk8DMK/2025-02-02_02-26-59/1and.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 292.75}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 292.75 }, "water": "amber14/tip3pfb.xml" }	-12916.5908	2025-02-02 04:08:07	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5FqatghH/2025-02-02_05-18-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5ELgovom/2025-02-02_05-18-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5FdvaRoH/2025-02-02_05-18-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5CcabLox/2025-02-02_05-18-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5DP1wQun/2025-02-02_05-18-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5HTGnSe5/2025-02-02_05-18-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5Do45VTZ/2025-02-02_05-18-33/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5CJmAajh/2025-02-02_05-18-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5EcDLbvR/2025-02-02_05-18-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5Cfkokas/2025-02-02_05-18-34/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5FqatghH/2025-02-02_05-18-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5ELgovom/2025-02-02_05-18-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5FdvaRoH/2025-02-02_05-18-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5CcabLox/2025-02-02_05-18-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5DP1wQun/2025-02-02_05-18-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5HTGnSe5/2025-02-02_05-18-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5Do45VTZ/2025-02-02_05-18-33/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5CJmAajh/2025-02-02_05-18-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5EcDLbvR/2025-02-02_05-18-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1and/5HYk8DMK/5Cfkokas/2025-02-02_05-18-34/md_0_1_old.cpt" ]
16970	0a3a92e3-309c-4393-baf4-8485db469a31	1tfg	2025-02-02 02:25:34	2025-02-02 03:41:44	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2	['5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5CfkPeMzTvgm6snXwX6TCniwHdRybk4aFpnx3dpARv1hMqLh', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2'] [ "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5CfkPeMzTvgm6snXwX6TCniwHdRybk4aFpnx3dpARv1hMqLh", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tfg/5CzFiYvB/2025-02-02_02-25-33/1tfg.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tfg/5CzFiYvB/2025-02-02_02-25-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tfg/5CzFiYvB/2025-02-02_02-25-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tfg/5CzFiYvB/2025-02-02_02-25-33/1tfg.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 394.96}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 394.96 }, "water": "amber14/tip3pfb.xml" }	-6457.6797	2025-02-02 03:03:50	600	5	1500	1.000000	5	['', '', '', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tfg/5CzFiYvB/5Gbc1Dzo/2025-02-02_03-41-49/md_0_1.cpt'] [ "", "", "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tfg/5CzFiYvB/5Gbc1Dzo/2025-02-02_03-41-49/md_0_1.cpt" ]
16969	c37a414b-6781-4280-a0e9-884d880631bb	1cuo	2025-02-02 02:25:27	2025-02-02 03:41:16	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY	['5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx', '5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr'] [ "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx", "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cuo/5CzFiYvB/2025-02-02_02-25-25/1cuo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cuo/5CzFiYvB/2025-02-02_02-25-25/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cuo/5CzFiYvB/2025-02-02_02-25-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cuo/5CzFiYvB/2025-02-02_02-25-25/1cuo.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 218.29}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 218.29 }, "water": "charmm36/water.xml" }	-4529.7402	2025-02-02 03:03:27	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5EUX8Kuc/2025-02-02_03-41-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5DndzPQR/2025-02-02_03-41-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5HGuQx5w/2025-02-02_03-41-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5EnT7oy4/2025-02-02_03-41-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5HpDuDJb/2025-02-02_03-41-34/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5EUX8Kuc/2025-02-02_03-41-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5DndzPQR/2025-02-02_03-41-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5HGuQx5w/2025-02-02_03-41-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5EnT7oy4/2025-02-02_03-41-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1cuo/5CzFiYvB/5HpDuDJb/2025-02-02_03-41-34/md_0_1.cpt" ]
16968	c076c91d-34c5-48a9-9f89-53fe931efc70	6eau	2025-02-02 02:23:56	2025-02-02 05:00:00	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC	['5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC'] [ "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6eau/5F2CsUDV/2025-02-02_02-23-53/6eau.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6eau/5F2CsUDV/2025-02-02_02-23-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6eau/5F2CsUDV/2025-02-02_02-23-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6eau/5F2CsUDV/2025-02-02_02-23-53/6eau.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 203.2}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 203.2 }, "water": "amber14/tip3pfb.xml" }	-14195.0889	2025-02-02 03:56:45	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5FqatghH/2025-02-02_05-00-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5CV8vqhD/2025-02-02_05-00-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5E2VPvK2/2025-02-02_05-00-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5FxpkNkq/2025-02-02_05-00-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5CX1t6qK/2025-02-02_05-00-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5CcabLox/2025-02-02_05-00-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5FH24sg8/2025-02-02_05-00-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5DndzPQR/2025-02-02_05-00-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5C595wt7/2025-02-02_05-00-11/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5FqatghH/2025-02-02_05-00-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5CV8vqhD/2025-02-02_05-00-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5E2VPvK2/2025-02-02_05-00-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5FxpkNkq/2025-02-02_05-00-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5CX1t6qK/2025-02-02_05-00-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5CcabLox/2025-02-02_05-00-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5FH24sg8/2025-02-02_05-00-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5DndzPQR/2025-02-02_05-00-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6eau/5F2CsUDV/5C595wt7/2025-02-02_05-00-11/md_0_1.cpt" ]
16967	7666b8cc-64d5-42e7-a22e-bba75a6311de	5xf0	2025-02-02 02:21:26	2025-02-02 05:06:48	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti	['5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP', '5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu'] [ "5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP", "5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5xf0/5Cg5QgjM/2025-02-02_02-21-24/5xf0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5xf0/5Cg5QgjM/2025-02-02_02-21-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5xf0/5Cg5QgjM/2025-02-02_02-21-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5xf0/5Cg5QgjM/2025-02-02_02-21-24/5xf0.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 224.09}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 224.09 }, "water": "charmm36/water.xml" }	-8754.8584	2025-02-02 04:04:23	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5Fq4S7oK/2025-02-02_05-06-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5FFZBVP6/2025-02-02_05-06-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5Eh1ZgyG/2025-02-02_05-06-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5FZoGG7x/2025-02-02_05-06-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5C8aeZq1/2025-02-02_05-06-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5H3NbTt2/2025-02-02_05-06-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5FNEiDZG/2025-02-02_05-06-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5DyitGMU/2025-02-02_05-06-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5Hn6NVLW/2025-02-02_05-06-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5HpCxvH5/2025-02-02_05-06-56/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5Fq4S7oK/2025-02-02_05-06-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5FFZBVP6/2025-02-02_05-06-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5Eh1ZgyG/2025-02-02_05-06-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5FZoGG7x/2025-02-02_05-06-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5C8aeZq1/2025-02-02_05-06-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5H3NbTt2/2025-02-02_05-06-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5FNEiDZG/2025-02-02_05-06-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5DyitGMU/2025-02-02_05-06-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5Hn6NVLW/2025-02-02_05-06-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5xf0/5Cg5QgjM/5HpCxvH5/2025-02-02_05-06-56/md_0_1.cpt" ]
16966	3b2f479e-603b-4009-9a89-0ac73e82188a	5x3y	2025-02-02 02:21:15	2025-02-02 05:04:17	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9	['5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ'] [ "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x3y/5Cg5QgjM/2025-02-02_02-21-13/5x3y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x3y/5Cg5QgjM/2025-02-02_02-21-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x3y/5Cg5QgjM/2025-02-02_02-21-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x3y/5Cg5QgjM/2025-02-02_02-21-13/5x3y.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 247.4}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.05, "temperature": 247.4 }, "water": "charmm36/water.xml" }	-7912.1357	2025-02-02 04:01:59	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5GrzLRi3/2025-02-02_05-04-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5CRrGY7J/2025-02-02_05-04-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5GNeDT2Z/2025-02-02_05-04-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5EhomZa6/2025-02-02_05-04-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5HWFxVD3/2025-02-02_05-04-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5FFFNMin/2025-02-02_05-04-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5HR74jwT/2025-02-02_05-04-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5G6mzcBY/2025-02-02_05-04-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5GEhtD5B/2025-02-02_05-04-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5ExkyH3g/2025-02-02_05-04-23/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5GrzLRi3/2025-02-02_05-04-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5CRrGY7J/2025-02-02_05-04-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5GNeDT2Z/2025-02-02_05-04-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5EhomZa6/2025-02-02_05-04-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5HWFxVD3/2025-02-02_05-04-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5FFFNMin/2025-02-02_05-04-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5HR74jwT/2025-02-02_05-04-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5G6mzcBY/2025-02-02_05-04-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5GEhtD5B/2025-02-02_05-04-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x3y/5Cg5QgjM/5ExkyH3g/2025-02-02_05-04-23/md_0_1_old.cpt" ]
16965	dcb1193d-5efa-4e76-9b40-a1c2f87bfd6c	2emh	2025-02-02 02:21:07	2025-02-02 03:39:11	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM	['5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM'] [ "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2emh/5CzFiYvB/2025-02-02_02-21-06/2emh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2emh/5CzFiYvB/2025-02-02_02-21-06/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2emh/5CzFiYvB/2025-02-02_02-21-06/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2emh/5CzFiYvB/2025-02-02_02-21-06/2emh.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 291.33}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 291.33 }, "water": "amber14/tip3pfb.xml" }	-2767.4758	2025-02-02 03:00:47	600	5	1500	1.000000	5	['', '', '', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2emh/5CzFiYvB/5H4BcoLo/2025-02-02_03-39-17/md_0_1.cpt'] [ "", "", "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2emh/5CzFiYvB/5H4BcoLo/2025-02-02_03-39-17/md_0_1.cpt" ]
16930	ad420a7e-9f56-4266-8ce6-febba83b11f4	5lh4	2025-02-02 02:20:14	2025-02-02 04:09:59	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE	['5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE'] [ "5DFWAKb57sn6qiRdD45mfUjjnSy3TPRE9neKj9b7xJmT4KjW", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lh4/5F4tQyWr/2025-02-02_02-20-12/5lh4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lh4/5F4tQyWr/2025-02-02_02-20-12/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lh4/5F4tQyWr/2025-02-02_02-20-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lh4/5F4tQyWr/2025-02-02_02-20-12/5lh4.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 297.99}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 297.99 }, "water": "amber14/tip3pfb.xml" }	-10992.3662	2025-02-02 03:11:17	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5DFWAKb5/2025-02-02_04-10-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5EyWAbu3/2025-02-02_04-10-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5Cfkokas/2025-02-02_04-10-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5Fv5nUTQ/2025-02-02_04-10-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5EycN1NE/2025-02-02_04-10-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5FHgDbX7/2025-02-02_04-10-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5GehSP5B/2025-02-02_04-10-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5DX8y4qK/2025-02-02_04-10-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5FH24sg8/2025-02-02_04-10-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5GvDM9XH/2025-02-02_04-10-07/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5DFWAKb5/2025-02-02_04-10-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5EyWAbu3/2025-02-02_04-10-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5Cfkokas/2025-02-02_04-10-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5Fv5nUTQ/2025-02-02_04-10-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5EycN1NE/2025-02-02_04-10-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5FHgDbX7/2025-02-02_04-10-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5GehSP5B/2025-02-02_04-10-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5DX8y4qK/2025-02-02_04-10-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5FH24sg8/2025-02-02_04-10-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5lh4/5F4tQyWr/5GvDM9XH/2025-02-02_04-10-07/md_0_1.cpt" ]
16964	4cab1cad-3979-4be2-b4b3-6f2ff82b77a0	1rjv	2025-02-02 02:20:02	2025-02-02 05:00:48	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg	['5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg', '5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY'] [ "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5GBxk4YT9Xxc1JULjtjYe7PYf4Ds987PMaF6GRaPkG2Bc2sg", "5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5GYVQABLJfu4aMHj91Bs96Mmnub89XvnX2XDjDWrRvGGUDet", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rjv/5Cg5QgjM/2025-02-02_02-20-00/1rjv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rjv/5Cg5QgjM/2025-02-02_02-20-00/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rjv/5Cg5QgjM/2025-02-02_02-20-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1rjv/5Cg5QgjM/2025-02-02_02-20-00/1rjv.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 382.61}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 382.61 }, "water": "charmm36/water.xml" }	-3723.3672	2025-02-02 03:58:55	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5HbgRnCL/2025-02-02_05-00-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5DPprcfa/2025-02-02_05-00-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5GBxk4YT/2025-02-02_05-00-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5ELG8hgR/2025-02-02_05-00-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5DST8S6N/2025-02-02_05-00-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5GYVQABL/2025-02-02_05-00-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5CY9apyj/2025-02-02_05-00-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5H3uS2zM/2025-02-02_05-00-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5EEwj36U/2025-02-02_05-00-57/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5HbgRnCL/2025-02-02_05-00-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5DPprcfa/2025-02-02_05-00-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5GBxk4YT/2025-02-02_05-00-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5ELG8hgR/2025-02-02_05-00-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5DST8S6N/2025-02-02_05-00-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5GYVQABL/2025-02-02_05-00-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5CY9apyj/2025-02-02_05-00-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5H3uS2zM/2025-02-02_05-00-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1rjv/5Cg5QgjM/5EEwj36U/2025-02-02_05-00-57/md_0_1.cpt" ]
16963	b32d06c1-58bc-4c2c-a03a-81cab2c51fd0	6rnc	2025-02-02 02:19:50	2025-02-02 04:58:00	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud	['5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA'] [ "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rnc/5Cg5QgjM/2025-02-02_02-19-48/6rnc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rnc/5Cg5QgjM/2025-02-02_02-19-48/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rnc/5Cg5QgjM/2025-02-02_02-19-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6rnc/5Cg5QgjM/2025-02-02_02-19-48/6rnc.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 239.24}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 239.24 }, "water": "amber14/tip3pfb.xml" }	-14106.9326	2025-02-02 03:55:52	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5GeqtuH4/2025-02-02_04-58-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5DJ6gt2p/2025-02-02_04-58-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5GvDM9XH/2025-02-02_04-58-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5EaCbdDs/2025-02-02_04-58-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5E2VPvK2/2025-02-02_04-58-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5CD6SYMs/2025-02-02_04-58-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5HN5q9Fa/2025-02-02_04-58-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5HdtUhXT/2025-02-02_04-58-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5Do45VTZ/2025-02-02_04-58-04/md_0_1_old.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5GeqtuH4/2025-02-02_04-58-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5DJ6gt2p/2025-02-02_04-58-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5GvDM9XH/2025-02-02_04-58-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5EaCbdDs/2025-02-02_04-58-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5E2VPvK2/2025-02-02_04-58-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5CD6SYMs/2025-02-02_04-58-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5HN5q9Fa/2025-02-02_04-58-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5HdtUhXT/2025-02-02_04-58-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6rnc/5Cg5QgjM/5Do45VTZ/2025-02-02_04-58-04/md_0_1_old.cpt" ]
16962	87252546-d801-4fa7-9c2f-ff7fc5855102	4grr	2025-02-02 02:13:29	2025-02-02 03:32:12	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE	['5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX'] [ "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4grr/5CzFiYvB/2025-02-02_02-13-27/4grr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4grr/5CzFiYvB/2025-02-02_02-13-27/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4grr/5CzFiYvB/2025-02-02_02-13-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4grr/5CzFiYvB/2025-02-02_02-13-27/4grr.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 314.22}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 314.22 }, "water": "charmm36/water.xml" }	-9754.8730	2025-02-02 03:00:33	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5GeqtuH4/2025-02-02_03-32-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5HGrqUKc/2025-02-02_03-32-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5EhomZa6/2025-02-02_03-32-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5DRY6eG3/2025-02-02_03-32-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5GeFCh4z/2025-02-02_03-32-24/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5GeqtuH4/2025-02-02_03-32-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5HGrqUKc/2025-02-02_03-32-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5EhomZa6/2025-02-02_03-32-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5DRY6eG3/2025-02-02_03-32-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4grr/5CzFiYvB/5GeFCh4z/2025-02-02_03-32-24/md_0_1_old.cpt" ]
16928	bb482daf-bb8b-4cf0-8992-df85ae27d48d	4xhb	2025-02-02 02:13:17	2025-02-02 04:26:04	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt	['5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2', '5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud'] [ "5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xhb/5F4tQyWr/2025-02-02_02-13-16/4xhb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xhb/5F4tQyWr/2025-02-02_02-13-16/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xhb/5F4tQyWr/2025-02-02_02-13-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xhb/5F4tQyWr/2025-02-02_02-13-16/4xhb.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 231.08}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 231.08 }, "water": "amber14/tip3pfb.xml" }	-64325.0273	2025-02-02 03:51:44	600	6	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5Cd59oQs/2025-02-02_04-28-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5CiGhHrn/2025-02-02_04-28-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5GutyMJ2/2025-02-02_04-28-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5Grg3vXe/2025-02-02_04-28-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5CaPMXwr/2025-02-02_04-28-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5GeHm4rw/2025-02-02_04-28-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5EbgU56i/2025-02-02_04-28-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5D2utUte/2025-02-02_04-28-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5GeqtuH4/2025-02-02_04-28-24/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5Cd59oQs/2025-02-02_04-28-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5CiGhHrn/2025-02-02_04-28-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5GutyMJ2/2025-02-02_04-28-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5Grg3vXe/2025-02-02_04-28-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5CaPMXwr/2025-02-02_04-28-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5GeHm4rw/2025-02-02_04-28-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5EbgU56i/2025-02-02_04-28-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5D2utUte/2025-02-02_04-28-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xhb/5F4tQyWr/5GeqtuH4/2025-02-02_04-28-24/md_0_1.cpt" ]
16961	18b0eb89-2acc-490e-be2d-609cd085655c	3m79	2025-02-02 02:11:02	2025-02-02 05:14:07	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ	['5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6'] [ "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m79/5FFApaS7/2025-02-02_02-11-00/3m79.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m79/5FFApaS7/2025-02-02_02-11-00/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m79/5FFApaS7/2025-02-02_02-11-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m79/5FFApaS7/2025-02-02_02-11-00/3m79.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 367.13}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 367.13 }, "water": "amber14/tip3pfb.xml" }	-33910.5977	2025-02-02 04:21:02	600	7	1500	1.000000	5	['', '', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5CarftSX/2025-02-02_05-14-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5HbmGqZk/2025-02-02_05-14-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5HonwvyF/2025-02-02_05-14-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5HYVRNRE/2025-02-02_05-14-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5G9vwUF5/2025-02-02_05-14-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5DP14rou/2025-02-02_05-14-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5GsSM359/2025-02-02_05-14-15/md_0_1.cpt'] [ "", "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5CarftSX/2025-02-02_05-14-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5HbmGqZk/2025-02-02_05-14-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5HonwvyF/2025-02-02_05-14-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5HYVRNRE/2025-02-02_05-14-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5G9vwUF5/2025-02-02_05-14-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5DP14rou/2025-02-02_05-14-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m79/5FFApaS7/5GsSM359/2025-02-02_05-14-15/md_0_1.cpt" ]
16960	3b4f189c-7237-49ac-8fe7-fea0909a7ea9	2ixk	2025-02-02 02:09:37	2025-02-02 03:29:16	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr	['5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA'] [ "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixk/5CzFiYvB/2025-02-02_02-09-35/2ixk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixk/5CzFiYvB/2025-02-02_02-09-35/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixk/5CzFiYvB/2025-02-02_02-09-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ixk/5CzFiYvB/2025-02-02_02-09-35/2ixk.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 357.41}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 357.41 }, "water": "charmm36/water.xml" }	-27916.8340	2025-02-02 02:42:40	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5EWQ8WQh/2025-02-02_03-29-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5CMEJjrh/2025-02-02_03-29-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5Eo36DdG/2025-02-02_03-29-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5EbgzxZd/2025-02-02_03-29-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5ESEfcCx/2025-02-02_03-29-33/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5EWQ8WQh/2025-02-02_03-29-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5CMEJjrh/2025-02-02_03-29-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5Eo36DdG/2025-02-02_03-29-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5EbgzxZd/2025-02-02_03-29-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ixk/5CzFiYvB/5ESEfcCx/2025-02-02_03-29-33/md_0_1.cpt" ]