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
2820	d3390536-6dca-4bb1-a59f-7a3e99173355	2yw5	2025-01-14 07:57:15	2025-01-14 09:58:33	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x	['5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu'] [ "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yw5/5HYk8DMK/2025-01-14_07-57-14/2yw5.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yw5/5HYk8DMK/2025-01-14_07-57-14/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yw5/5HYk8DMK/2025-01-14_07-57-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2yw5/5HYk8DMK/2025-01-14_07-57-14/2yw5.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 205.36}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 205.36 }, "water": "amber14/tip3pfb.xml" }	-11870.4316	2025-01-14 09:05:10	600	4	1500	1.000000	5	[''] [ "" ]
2791	8349f1a8-e2d4-40cd-8e40-1cac647f6175	4rj1	2025-01-14 07:54:02	2025-01-14 09:06:35	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB	['5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB', '5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd', '5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw', '5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm', '5CchUy6WjNF3NMTKNAuTMH3TuZAX5KCz63BHqzpabKFubxw1', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y', '5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS'] [ "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB", "5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd", "5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw", "5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm", "5CchUy6WjNF3NMTKNAuTMH3TuZAX5KCz63BHqzpabKFubxw1", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y", "5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4rj1/5F4tQyWr/2025-01-14_07-54-01/4rj1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4rj1/5F4tQyWr/2025-01-14_07-54-01/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4rj1/5F4tQyWr/2025-01-14_07-54-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4rj1/5F4tQyWr/2025-01-14_07-54-01/4rj1.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 219.75}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 219.75 }, "water": "amber14/tip3pfb.xml" }	-4524.7290	2025-01-14 08:23:15	600	4	1500	1.000000	5	[''] [ "" ]
2818	0e3beda1-c1a2-42f3-9152-d4254af24807	2g1y	2025-01-14 07:53:48	2025-01-14 10:21:06	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF	['5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd', '5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29'] [ "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd", "5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g1y/5HEo565W/2025-01-14_07-53-47/2g1y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g1y/5HEo565W/2025-01-14_07-53-47/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g1y/5HEo565W/2025-01-14_07-53-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2g1y/5HEo565W/2025-01-14_07-53-47/2g1y.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 385.55}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 385.55 }, "water": "amber14/tip3pfb.xml" }	0.0000	2025-01-14 08:24:57	600	4	1500	1.000000	5	[''] [ "" ]
2817	f49f7767-bdfc-4d30-8802-0ba62b78fc44	2phk	2025-01-14 07:52:05	2025-01-14 17:28:00	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP	['5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg', '5CJuq1tv3XqMmcBw9ohcNZuJUkVbYsUKyoomiCFLFC5Pewp9', '5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP'] [ "5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5CJuq1tv3XqMmcBw9ohcNZuJUkVbYsUKyoomiCFLFC5Pewp9", "5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phk/5GKH9FPP/2025-01-14_07-52-03/2phk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phk/5GKH9FPP/2025-01-14_07-52-03/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phk/5GKH9FPP/2025-01-14_07-52-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2phk/5GKH9FPP/2025-01-14_07-52-03/2phk.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 283.66}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 283.66 }, "water": "charmm36/water.xml" }	-19854.3633	2025-01-14 17:14:40	600	6	1500	1.000000	5	[''] [ "" ]
2816	1b28fb17-f3b0-4c7e-8091-c32b852661fe	6az5	2025-01-14 07:50:47	2025-01-14 09:57:58	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau	['5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og', '5CJuq1tv3XqMmcBw9ohcNZuJUkVbYsUKyoomiCFLFC5Pewp9', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv'] [ "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5CJuq1tv3XqMmcBw9ohcNZuJUkVbYsUKyoomiCFLFC5Pewp9", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6az5/5HYk8DMK/2025-01-14_07-50-46/6az5.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6az5/5HYk8DMK/2025-01-14_07-50-46/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6az5/5HYk8DMK/2025-01-14_07-50-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6az5/5HYk8DMK/2025-01-14_07-50-46/6az5.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 394.71}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 394.71 }, "water": "amber14/tip3pfb.xml" }	-2893.6968	2025-01-14 09:04:39	600	4	1500	1.000000	5	[''] [ "" ]
2789	a7708c2b-c66b-4c45-8209-2f442d0da418	3i5e	2025-01-14 07:48:54	2025-01-14 09:06:19	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK	['5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq', '5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE'] [ "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq", "5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3i5e/5F4tQyWr/2025-01-14_07-48-53/3i5e.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3i5e/5F4tQyWr/2025-01-14_07-48-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3i5e/5F4tQyWr/2025-01-14_07-48-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3i5e/5F4tQyWr/2025-01-14_07-48-53/3i5e.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 278.4}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 278.4 }, "water": "amber14/tip3pfb.xml" }	-2838.3318	2025-01-14 08:22:18	600	4	1500	1.000000	5	[''] [ "" ]
2814	5705684d-aba5-4ad6-b9e7-4ef694fda9bf	3a0t	2025-01-14 07:47:55	2025-01-14 09:42:31	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy	['5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96'] [ "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a0t/5CzFiYvB/2025-01-14_07-47-54/3a0t.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a0t/5CzFiYvB/2025-01-14_07-47-54/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a0t/5CzFiYvB/2025-01-14_07-47-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a0t/5CzFiYvB/2025-01-14_07-47-54/3a0t.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 295.32}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 295.32 }, "water": "amber14/tip3pfb.xml" }	-16372.7129	2025-01-14 08:31:47	600	4	1500	1.000000	5	[''] [ "" ]
2813	839feaaf-042c-4599-9b30-d8a05efc23e4	1pr9	2025-01-14 07:46:13	2025-01-14 10:05:16	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr	['5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv', '5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5D269wzntu4dxhXVZmwZ9asBGZ9RGeRZTsy8UjARZz56ga3f', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96'] [ "5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv", "5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5D269wzntu4dxhXVZmwZ9asBGZ9RGeRZTsy8UjARZz56ga3f", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pr9/5GKH9FPP/2025-01-14_07-46-11/1pr9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pr9/5GKH9FPP/2025-01-14_07-46-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pr9/5GKH9FPP/2025-01-14_07-46-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pr9/5GKH9FPP/2025-01-14_07-46-11/1pr9.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 260.76}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.94, "temperature": 260.76 }, "water": "charmm36/water.xml" }	-29906.4219	2025-01-14 09:20:04	600	4	1500	1.000000	5	[''] [ "" ]
2786	4306a624-2bbe-4635-8a95-b5009af86f3b	2nd7	2025-01-14 07:43:50	2025-01-14 09:06:02	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49	['5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy', '5EfCEd4onGE6ixqfg9jGbfrH4dHqQVyaxg1uSmqFBHwNK1HG', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9', '5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49'] [ "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy", "5EfCEd4onGE6ixqfg9jGbfrH4dHqQVyaxg1uSmqFBHwNK1HG", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9", "5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nd7/5F4tQyWr/2025-01-14_07-43-48/2nd7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nd7/5F4tQyWr/2025-01-14_07-43-48/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nd7/5F4tQyWr/2025-01-14_07-43-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nd7/5F4tQyWr/2025-01-14_07-43-48/2nd7.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 232.05}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 232.05 }, "water": "charmm36/water.xml" }	-1675.4633	2025-01-14 08:21:53	600	4	1500	1.000000	5	[''] [ "" ]
2811	0d692448-cd0f-4a08-8978-44ffb04bb805	1b2y	2025-01-14 07:39:26	2025-01-14 10:01:27	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV	['5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2'] [ "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2y/5GKH9FPP/2025-01-14_07-39-24/1b2y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2y/5GKH9FPP/2025-01-14_07-39-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2y/5GKH9FPP/2025-01-14_07-39-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b2y/5GKH9FPP/2025-01-14_07-39-24/1b2y.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 292.12}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 292.12 }, "water": "charmm36/water.xml" }	-32921.1484	2025-01-14 09:16:12	600	4	1500	1.000000	5	[''] [ "" ]
2784	2c4cba19-76d5-485a-b9e5-2c43c84eec67	6m5b	2025-01-14 07:37:35	2025-01-14 09:05:00	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B	['5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw'] [ "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6m5b/5F4tQyWr/2025-01-14_07-37-33/6m5b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6m5b/5F4tQyWr/2025-01-14_07-37-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6m5b/5F4tQyWr/2025-01-14_07-37-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6m5b/5F4tQyWr/2025-01-14_07-37-33/6m5b.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 378.87}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 378.87 }, "water": "amber14/tip3pfb.xml" }	-2348.3074	2025-01-14 08:04:14	600	4	1500	1.000000	5	[''] [ "" ]
2810	0d89f0b6-7be9-4178-875c-54cf94d79db9	3gsh	2025-01-14 07:35:48	2025-01-14 15:34:00	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy	['5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr', '5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS'] [ "5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr", "5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3gsh/5F2CsUDV/2025-01-14_07-35-46/3gsh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3gsh/5F2CsUDV/2025-01-14_07-35-46/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3gsh/5F2CsUDV/2025-01-14_07-35-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3gsh/5F2CsUDV/2025-01-14_07-35-46/3gsh.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 212.86}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 212.86 }, "water": "charmm36/water.xml" }	-12505.4287	2025-01-14 14:34:25	600	4	1500	1.000000	5	[''] [ "" ]
2780	8cb46824-41a0-4624-b7bf-8dcb1a684628	1fme	2025-01-14 07:31:31	2025-01-14 09:04:42	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC	['5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982'] [ "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fme/5F4tQyWr/2025-01-14_07-31-30/1fme.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fme/5F4tQyWr/2025-01-14_07-31-30/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fme/5F4tQyWr/2025-01-14_07-31-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1fme/5F4tQyWr/2025-01-14_07-31-30/1fme.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 345.63}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 345.63 }, "water": "amber14/tip3pfb.xml" }	-4399.0483	2025-01-14 08:20:36	600	4	1500	1.000000	5	[''] [ "" ]
2809	0813da59-b5a7-4c44-a9b8-58476db45991	1b7l	2025-01-14 07:31:03	2025-01-14 09:57:49	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE	['5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn', '5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw'] [ "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn", "5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b7l/5GKH9FPP/2025-01-14_07-30-59/1b7l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b7l/5GKH9FPP/2025-01-14_07-30-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b7l/5GKH9FPP/2025-01-14_07-30-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1b7l/5GKH9FPP/2025-01-14_07-30-59/1b7l.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 243.16}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 243.16 }, "water": "amber14/tip3pfb.xml" }	-16672.9062	2025-01-14 08:45:47	600	4	1500	1.000000	5	[''] [ "" ]
2808	924b9b6a-1c90-4aeb-9bee-4e9943b19a47	1f6j	2025-01-14 07:30:29	2025-01-14 15:31:25	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn	['5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU', '5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj'] [ "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU", "5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6j/5F2CsUDV/2025-01-14_07-30-27/1f6j.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6j/5F2CsUDV/2025-01-14_07-30-27/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6j/5F2CsUDV/2025-01-14_07-30-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6j/5F2CsUDV/2025-01-14_07-30-27/1f6j.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 394.43}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 394.43 }, "water": "amber14/tip3pfb.xml" }	-5232.1157	2025-01-14 14:32:01	600	4	1500	1.000000	5	[''] [ "" ]
2807	4901d11a-adae-4d41-a71c-1f9b2c26dac0	1chm	2025-01-14 07:28:04	2025-01-14 09:32:12	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31	['5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy'] [ "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1chm/5HYk8DMK/2025-01-14_07-28-02/1chm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1chm/5HYk8DMK/2025-01-14_07-28-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1chm/5HYk8DMK/2025-01-14_07-28-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1chm/5HYk8DMK/2025-01-14_07-28-02/1chm.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 292.47}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 292.47 }, "water": "charmm36/water.xml" }	-55672.0156	2025-01-14 07:44:37	600	4	1500	1.000000	5	[''] [ "" ]
2806	2c1e9006-44c7-4898-b82e-93e8f77a4515	3rto	2025-01-14 07:21:13	2025-01-14 15:30:18	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy	['5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL'] [ "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3rto/5F2CsUDV/2025-01-14_07-21-11/3rto.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3rto/5F2CsUDV/2025-01-14_07-21-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3rto/5F2CsUDV/2025-01-14_07-21-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3rto/5F2CsUDV/2025-01-14_07-21-11/3rto.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 284.61}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 284.61 }, "water": "amber14/tip3pfb.xml" }	-8758.7402	2025-01-14 14:30:55	600	4	1500	1.000000	5	[''] [ "" ]
2773	f847bafe-330b-4146-a094-6f11615ec64f	4ovo	2025-01-14 07:14:27	2025-01-14 08:31:26	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn	['5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK', '5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5GERuoBqGQjVmZvQTu53FEjw4nPEdfCR7nEt6aK1Ye2f45Ko'] [ "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5GERuoBqGQjVmZvQTu53FEjw4nPEdfCR7nEt6aK1Ye2f45Ko" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ovo/5F4tQyWr/2025-01-14_07-14-26/4ovo.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ovo/5F4tQyWr/2025-01-14_07-14-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ovo/5F4tQyWr/2025-01-14_07-14-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ovo/5F4tQyWr/2025-01-14_07-14-26/4ovo.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 316.44}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 316.44 }, "water": "amber14/tip3pfb.xml" }	-4170.2690	2025-01-14 08:02:24	600	4	1500	1.000000	5	[''] [ "" ]
2770	ea61597b-2413-4787-83da-3c7ff6dbfb0f	3a80	2025-01-14 07:08:00	2025-01-14 08:31:07	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg	['5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og'] [ "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a80/5F4tQyWr/2025-01-14_07-07-59/3a80.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a80/5F4tQyWr/2025-01-14_07-07-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a80/5F4tQyWr/2025-01-14_07-07-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3a80/5F4tQyWr/2025-01-14_07-07-59/3a80.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 397.0}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 397.0 }, "water": "amber14/tip3pfb.xml" }	-9228.8955	2025-01-14 08:02:05	600	4	1500	1.000000	5	[''] [ "" ]
2804	f4ba1ffe-597e-44ea-bdfc-d78ba14ab57c	8dh7	2025-01-14 07:05:33	2025-01-14 09:56:29	1	Yes	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t	['5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss'] [ "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8dh7/5GKH9FPP/2025-01-14_07-05-31/8dh7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8dh7/5GKH9FPP/2025-01-14_07-05-31/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8dh7/5GKH9FPP/2025-01-14_07-05-31/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8dh7/5GKH9FPP/2025-01-14_07-05-31/8dh7.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 201.55}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 201.55 }, "water": "charmm36/water.xml" }	-79694.3359	2025-01-14 09:56:29	600	5	1500	1.000000	5	[''] [ "" ]