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
16692	9de2662a-d0ba-42d3-90d6-a26c9a7b9b21	7ziz	2025-02-01 18:29:53	2025-02-01 20:22:06	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227	['5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227'] [ "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ziz/5CzFiYvB/2025-02-01_18-29-51/7ziz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ziz/5CzFiYvB/2025-02-01_18-29-51/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ziz/5CzFiYvB/2025-02-01_18-29-51/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ziz/5CzFiYvB/2025-02-01_18-29-51/7ziz.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 247.24}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 247.24 }, "water": "charmm36/water.xml" }	-10256.3496	2025-02-01 19:37:12	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5DP14rou/2025-02-01_20-22-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5DS3joaF/2025-02-01_20-22-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5Eq9hKu9/2025-02-01_20-22-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5GGb3rhZ/2025-02-01_20-22-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5C4xDki7/2025-02-01_20-22-13/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5DP14rou/2025-02-01_20-22-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5DS3joaF/2025-02-01_20-22-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5Eq9hKu9/2025-02-01_20-22-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5GGb3rhZ/2025-02-01_20-22-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ziz/5CzFiYvB/5C4xDki7/2025-02-01_20-22-13/md_0_1.cpt" ]
16691	d1d10fad-f22d-4bf2-b051-0e82a61b1f29	1aar	2025-02-01 18:29:15	2025-02-01 20:58:44	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt	['5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF'] [ "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5HYk8DMK/2025-02-01_18-29-13/1aar.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5HYk8DMK/2025-02-01_18-29-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5HYk8DMK/2025-02-01_18-29-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5HYk8DMK/2025-02-01_18-29-13/1aar.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 235.73}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 235.73 }, "water": "amber14/tip3pfb.xml" }	-19339.7402	2025-02-01 19:45:51	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5FH24sg8/2025-02-01_20-58-50/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5Ca47zJP/2025-02-01_20-58-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5Ec4Vqsh/2025-02-01_20-58-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5EcntL3e/2025-02-01_20-58-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5E4Eu5KB/2025-02-01_20-58-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5EZJCvUK/2025-02-01_20-58-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5GGb3rhZ/2025-02-01_20-58-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5FPK4CeE/2025-02-01_20-58-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5Dyv2T3R/2025-02-01_20-58-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5D4kFUfn/2025-02-01_20-58-55/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5FH24sg8/2025-02-01_20-58-50/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5Ca47zJP/2025-02-01_20-58-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5Ec4Vqsh/2025-02-01_20-58-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5EcntL3e/2025-02-01_20-58-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5E4Eu5KB/2025-02-01_20-58-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5EZJCvUK/2025-02-01_20-58-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5GGb3rhZ/2025-02-01_20-58-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5FPK4CeE/2025-02-01_20-58-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5Dyv2T3R/2025-02-01_20-58-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aar/5HYk8DMK/5D4kFUfn/2025-02-01_20-58-55/md_0_1.cpt" ]
16690	1dee7c27-90ac-4be6-b861-71d84bd641be	1r8u	2025-02-01 18:28:50	2025-02-01 21:26:49	1	No	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ	['5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC', '5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ', '5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c'] [ "5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC", "5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ", "5Fn13c2TBrCMEy9tbKLfijQc6J2MnjSzdXQ3mPKXgVG6xzyB", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8u/5HEo565W/2025-02-01_18-28-50/1r8u.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8u/5HEo565W/2025-02-01_18-28-50/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8u/5HEo565W/2025-02-01_18-28-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r8u/5HEo565W/2025-02-01_18-28-50/1r8u.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 313.74}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 313.74 }, "water": "amber14/tip3pfb.xml" }	-15730.7559	2025-02-01 20:11:19	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5C595wt7/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5F9nfJQE/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5Fn13c2T/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5EyWAbu3/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5Ew6RyYq/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5HpDuDJb/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5Hh4RLJA/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5CULginL/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5CkkTeB4/2025-02-01_21-26-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5CaPMXwr/2025-02-01_21-26-54/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5C595wt7/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5F9nfJQE/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5Fn13c2T/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5EyWAbu3/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5Ew6RyYq/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5HpDuDJb/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5Hh4RLJA/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5CULginL/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5CkkTeB4/2025-02-01_21-26-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r8u/5HEo565W/5CaPMXwr/2025-02-01_21-26-54/md_0_1.cpt" ]
16688	47ee584c-70c4-4f80-a8e0-fe45450348ec	1yq6	2025-02-01 18:23:26	2025-02-01 20:55:27	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe	['5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8', '5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW'] [ "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8", "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yq6/5F2CsUDV/2025-02-01_18-23-23/1yq6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yq6/5F2CsUDV/2025-02-01_18-23-23/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yq6/5F2CsUDV/2025-02-01_18-23-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yq6/5F2CsUDV/2025-02-01_18-23-23/1yq6.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 373.55}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 373.55 }, "water": "amber14/tip3pfb.xml" }	-19259.4434	2025-02-01 19:48:09	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HYficC7/2025-02-01_20-55-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5EcDLbvR/2025-02-01_20-55-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5EWQ8WQh/2025-02-01_20-55-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5GpsZaPf/2025-02-01_20-55-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5EWwHneX/2025-02-01_20-55-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HQV4JrB/2025-02-01_20-55-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HWFxVD3/2025-02-01_20-55-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HNjFXXT/2025-02-01_20-56-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5DFuo6i7/2025-02-01_20-56-03/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HYficC7/2025-02-01_20-55-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5EcDLbvR/2025-02-01_20-55-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5EWQ8WQh/2025-02-01_20-55-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5GpsZaPf/2025-02-01_20-55-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5EWwHneX/2025-02-01_20-55-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HQV4JrB/2025-02-01_20-55-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HWFxVD3/2025-02-01_20-55-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5HNjFXXT/2025-02-01_20-56-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yq6/5F2CsUDV/5DFuo6i7/2025-02-01_20-56-03/md_0_1.cpt" ]
16687	f1091a0c-ee2d-42ee-ad58-d0f771d3084a	2lyz	2025-02-01 18:20:59	2025-02-01 20:52:51	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227	['5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5F7eRZaJvdeEarQWCQE6x4J7aWr8RfKdyLRyZUG2wMJ5Xjk8', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH'] [ "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5F7eRZaJvdeEarQWCQE6x4J7aWr8RfKdyLRyZUG2wMJ5Xjk8", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lyz/5F2CsUDV/2025-02-01_18-20-56/2lyz.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lyz/5F2CsUDV/2025-02-01_18-20-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lyz/5F2CsUDV/2025-02-01_18-20-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lyz/5F2CsUDV/2025-02-01_18-20-56/2lyz.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 216.09}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 216.09 }, "water": "charmm36/water.xml" }	-11415.3018	2025-02-01 19:45:22	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5Gbc1Dzo/2025-02-01_20-52-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5Fq4S7oK/2025-02-01_20-52-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5DUmNo3Q/2025-02-01_20-52-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5Gb5EGGA/2025-02-01_20-52-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5C4xDki7/2025-02-01_20-53-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5FkBB721/2025-02-01_20-53-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5F7eRZaJ/2025-02-01_20-53-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5H3uS2zM/2025-02-01_20-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5GehSP5B/2025-02-01_20-53-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5FvepbgL/2025-02-01_20-53-01/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5Gbc1Dzo/2025-02-01_20-52-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5Fq4S7oK/2025-02-01_20-52-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5DUmNo3Q/2025-02-01_20-52-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5Gb5EGGA/2025-02-01_20-52-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5C4xDki7/2025-02-01_20-53-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5FkBB721/2025-02-01_20-53-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5F7eRZaJ/2025-02-01_20-53-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5H3uS2zM/2025-02-01_20-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5GehSP5B/2025-02-01_20-53-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lyz/5F2CsUDV/5FvepbgL/2025-02-01_20-53-01/md_0_1.cpt" ]
16686	710395ce-29e7-4b71-a391-6fd994f3a6a6	6t98	2025-02-01 18:20:58	2025-02-01 20:56:57	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM	['5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh'] [ "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6t98/5HYk8DMK/2025-02-01_18-20-56/6t98.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6t98/5HYk8DMK/2025-02-01_18-20-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6t98/5HYk8DMK/2025-02-01_18-20-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6t98/5HYk8DMK/2025-02-01_18-20-56/6t98.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 250.52}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 250.52 }, "water": "amber14/tip3pfb.xml" }	-38955.8516	2025-02-01 19:44:38	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5GrzLRi3/2025-02-01_20-57-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5EcFV1Tp/2025-02-01_20-57-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5FTzckmn/2025-02-01_20-57-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5DhhnQF1/2025-02-01_20-57-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5GHdVT5q/2025-02-01_20-57-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5G27Crdi/2025-02-01_20-57-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5H4BcoLo/2025-02-01_20-57-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5CY9apyj/2025-02-01_20-57-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5ES6G8x2/2025-02-01_20-57-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5E4Sun3n/2025-02-01_20-57-06/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5GrzLRi3/2025-02-01_20-57-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5EcFV1Tp/2025-02-01_20-57-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5FTzckmn/2025-02-01_20-57-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5DhhnQF1/2025-02-01_20-57-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5GHdVT5q/2025-02-01_20-57-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5G27Crdi/2025-02-01_20-57-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5H4BcoLo/2025-02-01_20-57-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5CY9apyj/2025-02-01_20-57-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5ES6G8x2/2025-02-01_20-57-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6t98/5HYk8DMK/5E4Sun3n/2025-02-01_20-57-06/md_0_1.cpt" ]
16685	5bb2d293-f253-4c85-a242-22adebd81d05	4jy7	2025-02-01 18:13:51	2025-02-01 20:54:11	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW	['5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW'] [ "5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jy7/5GKH9FPP/2025-02-01_18-13-49/4jy7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jy7/5GKH9FPP/2025-02-01_18-13-49/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jy7/5GKH9FPP/2025-02-01_18-13-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jy7/5GKH9FPP/2025-02-01_18-13-49/4jy7.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 364.45}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.94, "temperature": 364.45 }, "water": "charmm36/water.xml" }	-6677.4282	2025-02-01 19:44:28	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5DXXiX9i/2025-02-01_20-54-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5FBis2fY/2025-02-01_20-54-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5HQV4JrB/2025-02-01_20-54-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5EjRpczo/2025-02-01_20-54-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5DJ6gt2p/2025-02-01_20-54-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5FZoGG7x/2025-02-01_20-54-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5HEBtdd3/2025-02-01_20-54-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5C7LuavG/2025-02-01_20-54-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5Gb5EGGA/2025-02-01_20-54-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5DFuo6i7/2025-02-01_20-54-21/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5DXXiX9i/2025-02-01_20-54-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5FBis2fY/2025-02-01_20-54-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5HQV4JrB/2025-02-01_20-54-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5EjRpczo/2025-02-01_20-54-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5DJ6gt2p/2025-02-01_20-54-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5FZoGG7x/2025-02-01_20-54-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5HEBtdd3/2025-02-01_20-54-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5C7LuavG/2025-02-01_20-54-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5Gb5EGGA/2025-02-01_20-54-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jy7/5GKH9FPP/5DFuo6i7/2025-02-01_20-54-21/md_0_1.cpt" ]
16650	4bf1b1f5-1597-438b-a837-51f98ad686df	3m9f	2025-02-01 18:12:10	2025-02-01 19:54:56	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP	['5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8'] [ "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m9f/5F4tQyWr/2025-02-01_18-12-08/3m9f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m9f/5F4tQyWr/2025-02-01_18-12-08/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m9f/5F4tQyWr/2025-02-01_18-12-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3m9f/5F4tQyWr/2025-02-01_18-12-08/3m9f.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 272.23}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 272.23 }, "water": "amber14/tip3pfb.xml" }	-15741.8848	2025-02-01 19:20:01	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5CarftSX/2025-02-01_19-55-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5EcFV1Tp/2025-02-01_19-55-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5Hn6NVLW/2025-02-01_19-55-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5DUBJXqH/2025-02-01_19-55-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5DvtSoBC/2025-02-01_19-55-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5EUX8Kuc/2025-02-01_19-55-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5FvepbgL/2025-02-01_19-55-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5HdfzvTF/2025-02-01_19-55-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5GxgkVRW/2025-02-01_19-55-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5DJ6gt2p/2025-02-01_19-55-12/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5CarftSX/2025-02-01_19-55-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5EcFV1Tp/2025-02-01_19-55-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5Hn6NVLW/2025-02-01_19-55-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5DUBJXqH/2025-02-01_19-55-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5DvtSoBC/2025-02-01_19-55-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5EUX8Kuc/2025-02-01_19-55-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5FvepbgL/2025-02-01_19-55-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5HdfzvTF/2025-02-01_19-55-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5GxgkVRW/2025-02-01_19-55-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3m9f/5F4tQyWr/5DJ6gt2p/2025-02-01_19-55-12/md_0_1.cpt" ]
16681	4f7d12f5-df32-45cf-b0da-05cc24667b07	6kvs	2025-02-01 18:04:38	2025-02-01 19:56:35	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC	['5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk', '5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK'] [ "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5C5BrEUXfGdoRrRFBEGLvS17qZ5xJUEXgHRZkT23tzYkawh9", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk", "5CHpNaFMTW2UcEfyUDuAg61T6gsXHLQPHfH87D1R5ru2D9jK" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kvs/5CzFiYvB/2025-02-01_18-04-37/6kvs.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kvs/5CzFiYvB/2025-02-01_18-04-37/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kvs/5CzFiYvB/2025-02-01_18-04-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6kvs/5CzFiYvB/2025-02-01_18-04-37/6kvs.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 275.72}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 275.72 }, "water": "charmm36/water.xml" }	-19480.7324	2025-02-01 19:08:46	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5C5BrEUX/2025-02-01_19-56-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5CkkTeB4/2025-02-01_19-56-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5ELG8hgR/2025-02-01_19-56-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5CHpNaFM/2025-02-01_19-56-53/md_0_1_old.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5C5BrEUX/2025-02-01_19-56-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5CkkTeB4/2025-02-01_19-56-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5ELG8hgR/2025-02-01_19-56-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6kvs/5CzFiYvB/5CHpNaFM/2025-02-01_19-56-53/md_0_1_old.cpt" ]
16680	5fec2e59-c1df-48d3-8106-94d8b9ca27d1	1xr0	2025-02-01 18:03:52	2025-02-01 19:52:11	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG	['5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn'] [ "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xr0/5CzFiYvB/2025-02-01_18-03-50/1xr0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xr0/5CzFiYvB/2025-02-01_18-03-50/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xr0/5CzFiYvB/2025-02-01_18-03-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xr0/5CzFiYvB/2025-02-01_18-03-50/1xr0.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 344.45}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 344.45 }, "water": "amber14/tip3pfb.xml" }	-18637.3027	2025-02-01 18:41:15	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5Fs8ex9e/2025-02-01_19-52-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5HNjFXXT/2025-02-01_19-52-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5FxpkNkq/2025-02-01_19-52-17/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5DAAjjm6/2025-02-01_19-52-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5CD6SYMs/2025-02-01_19-52-18/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5Fs8ex9e/2025-02-01_19-52-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5HNjFXXT/2025-02-01_19-52-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5FxpkNkq/2025-02-01_19-52-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5DAAjjm6/2025-02-01_19-52-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xr0/5CzFiYvB/5CD6SYMs/2025-02-01_19-52-18/md_0_1.cpt" ]
16679	0113a9fb-c624-4095-a620-490188c0c37a	4h15	2025-02-01 18:01:51	2025-02-01 19:51:38	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac	['5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2'] [ "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4h15/5CzFiYvB/2025-02-01_18-01-50/4h15.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4h15/5CzFiYvB/2025-02-01_18-01-50/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4h15/5CzFiYvB/2025-02-01_18-01-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4h15/5CzFiYvB/2025-02-01_18-01-50/4h15.pdb" }	{'ff': 'charmm36.xml', 'box': 'dodecahedron', 'water': 'charmm36/tip5p.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 236.29}} { "box": "dodecahedron", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 236.29 }, "water": "charmm36/tip5p.xml" }	-69336.8438	2025-02-01 18:40:46	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5FF48AEJ/2025-02-01_19-51-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5EycN1NE/2025-02-01_19-51-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5DsnAEMX/2025-02-01_19-51-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5GBzJfFq/2025-02-01_19-51-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5Gbc1Dzo/2025-02-01_19-51-46/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5FF48AEJ/2025-02-01_19-51-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5EycN1NE/2025-02-01_19-51-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5DsnAEMX/2025-02-01_19-51-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5GBzJfFq/2025-02-01_19-51-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4h15/5CzFiYvB/5Gbc1Dzo/2025-02-01_19-51-46/md_0_1.cpt" ]
16678	421f2c0d-2caf-4d34-a20e-fb1873756e20	6xhc	2025-02-01 18:00:33	2025-02-01 20:21:49	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw	['5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA'] [ "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5HotM239zDdxLpcopun8qMxQCNdypTEwWuZdiGGwWKEHpQzh", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xhc/5Cg5QgjM/2025-02-01_18-00-32/6xhc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xhc/5Cg5QgjM/2025-02-01_18-00-32/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xhc/5Cg5QgjM/2025-02-01_18-00-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xhc/5Cg5QgjM/2025-02-01_18-00-32/6xhc.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 206.0}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 206.0 }, "water": "charmm36/water.xml" }	-13427.1650	2025-02-01 19:20:06	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5Fs8ex9e/2025-02-01_20-21-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5CcabLox/2025-02-01_20-21-51/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5C8aeZq1/2025-02-01_20-21-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5F9nfJQE/2025-02-01_20-21-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5CkvSoEP/2025-02-01_20-21-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5FRHk95S/2025-02-01_20-21-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5HotM239/2025-02-01_20-21-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5Eq9hKu9/2025-02-01_20-21-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5CarftSX/2025-02-01_20-21-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5G3onMPU/2025-02-01_20-21-55/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5Fs8ex9e/2025-02-01_20-21-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5CcabLox/2025-02-01_20-21-51/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5C8aeZq1/2025-02-01_20-21-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5F9nfJQE/2025-02-01_20-21-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5CkvSoEP/2025-02-01_20-21-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5FRHk95S/2025-02-01_20-21-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5HotM239/2025-02-01_20-21-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5Eq9hKu9/2025-02-01_20-21-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5CarftSX/2025-02-01_20-21-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xhc/5Cg5QgjM/5G3onMPU/2025-02-01_20-21-55/md_0_1.cpt" ]
16677	3a6e0450-8be0-49e0-96a1-0fd79d6f35e3	4ye3	2025-02-01 17:59:29	2025-02-01 20:41:30	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf	['5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8', '5D7CeVRYKi6ANm5zKHGViZJrgXfnt4GeWXNWDESDaiC8WtAz', '5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN'] [ "5DS3joaFBazshEJoCfo9PArvLEW4Dsgx2gjTg29N2LfGDuwc", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5EWQ8WQhTS1gTcB5tdc3W4QRMYnQnuqspQCMekVosSscR9L8", "5D7CeVRYKi6ANm5zKHGViZJrgXfnt4GeWXNWDESDaiC8WtAz", "5HGrqUKcerZWyQZfUMPcjDaxiR1czo7QpiRRLnXcqGwxpFqE", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ye3/5HYk8DMK/2025-02-01_17-59-28/4ye3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ye3/5HYk8DMK/2025-02-01_17-59-28/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ye3/5HYk8DMK/2025-02-01_17-59-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4ye3/5HYk8DMK/2025-02-01_17-59-28/4ye3.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 220.12}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 220.12 }, "water": "charmm36/water.xml" }	-10289.8301	2025-02-01 19:42:42	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5GutyMJ2/2025-02-01_20-41-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5D4pv1fQ/2025-02-01_20-41-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5EEwj36U/2025-02-01_20-41-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5F4Vi7rw/2025-02-01_20-41-41/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5DU7YwrR/2025-02-01_20-41-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5EWQ8WQh/2025-02-01_20-41-43/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5D7CeVRY/2025-02-01_20-41-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5HGrqUKc/2025-02-01_20-41-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5HKMcnD5/2025-02-01_20-41-48/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5GutyMJ2/2025-02-01_20-41-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5D4pv1fQ/2025-02-01_20-41-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5EEwj36U/2025-02-01_20-41-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5F4Vi7rw/2025-02-01_20-41-41/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5DU7YwrR/2025-02-01_20-41-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5EWQ8WQh/2025-02-01_20-41-43/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5D7CeVRY/2025-02-01_20-41-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5HGrqUKc/2025-02-01_20-41-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4ye3/5HYk8DMK/5HKMcnD5/2025-02-01_20-41-48/md_0_1.cpt" ]
16676	c6e02f1a-4f31-4518-9566-065fe697ebc1	2ma8	2025-02-01 17:59:13	2025-02-01 20:36:46	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC	['5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ'] [ "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5FZoGG7xsMVSMcsBjtz4WWuBWgMTyyghd89RkSrBqff2dvPD", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ma8/5HYk8DMK/2025-02-01_17-59-11/2ma8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ma8/5HYk8DMK/2025-02-01_17-59-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ma8/5HYk8DMK/2025-02-01_17-59-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ma8/5HYk8DMK/2025-02-01_17-59-11/2ma8.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 354.93}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 354.93 }, "water": "amber14/tip3pfb.xml" }	-4643.7632	2025-02-01 19:01:45	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5DkvT79z/2025-02-01_20-36-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FBis2fY/2025-02-01_20-36-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5D8JdLSr/2025-02-01_20-36-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5Eo36DdG/2025-02-01_20-36-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FZoGG7x/2025-02-01_20-37-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5GEhtD5B/2025-02-01_20-37-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FcDSsb4/2025-02-01_20-37-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FjT2qPt/2025-02-01_20-37-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5GjWuUXL/2025-02-01_20-37-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5CkvSoEP/2025-02-01_20-37-08/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5DkvT79z/2025-02-01_20-36-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FBis2fY/2025-02-01_20-36-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5D8JdLSr/2025-02-01_20-36-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5Eo36DdG/2025-02-01_20-36-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FZoGG7x/2025-02-01_20-37-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5GEhtD5B/2025-02-01_20-37-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FcDSsb4/2025-02-01_20-37-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5FjT2qPt/2025-02-01_20-37-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5GjWuUXL/2025-02-01_20-37-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ma8/5HYk8DMK/5CkvSoEP/2025-02-01_20-37-08/md_0_1.cpt" ]
16675	fa943bc9-2bba-4ebe-b141-d168d2678a73	7ukk	2025-02-01 17:59:05	2025-02-01 20:34:50	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6	['5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F', '5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk'] [ "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5C595wt7jQGTtJafW44onr5nUokYYDpMjTdJrTZBRzbHpUzC", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5Hn6NVLWccrCMxhhhAPQCfphDMYgQDuxs5KuAeEs7etw21hP", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5E2VPvK2vKf58PXksAUwJpwXMvx9irviMnuxKM1XaQFxrQ5F", "5FU5QKcTsEV1jVEPDar6cGtUgEGGmg7eV2q2FoprbWcAMMNk" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ukk/5HYk8DMK/2025-02-01_17-59-04/7ukk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ukk/5HYk8DMK/2025-02-01_17-59-04/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ukk/5HYk8DMK/2025-02-01_17-59-04/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7ukk/5HYk8DMK/2025-02-01_17-59-04/7ukk.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 392.51}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 392.51 }, "water": "amber14/tip3pfb.xml" }	-20336.5684	2025-02-01 19:00:39	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5EEvdk6d/2025-02-01_20-34-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5C595wt7/2025-02-01_20-35-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5GsSM359/2025-02-01_20-35-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5CATsG1V/2025-02-01_20-35-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5Hn6NVLW/2025-02-01_20-35-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5FZEixsS/2025-02-01_20-35-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5HR74jwT/2025-02-01_20-35-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5E2VPvK2/2025-02-01_20-35-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5FU5QKcT/2025-02-01_20-35-14/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5EEvdk6d/2025-02-01_20-34-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5C595wt7/2025-02-01_20-35-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5GsSM359/2025-02-01_20-35-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5CATsG1V/2025-02-01_20-35-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5Hn6NVLW/2025-02-01_20-35-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5FZEixsS/2025-02-01_20-35-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5HR74jwT/2025-02-01_20-35-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5E2VPvK2/2025-02-01_20-35-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7ukk/5HYk8DMK/5FU5QKcT/2025-02-01_20-35-14/md_0_1.cpt" ]
16674	1d35adf2-deac-4bc4-be12-c5850f3bce18	1eo1	2025-02-01 17:56:40	2025-02-01 20:17:42	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ	['5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk', '5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA'] [ "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5ELG8hgRH4c2sg8Dq1EDrGRi8VcLaQCXMfJY3UhWyq3ekzPk", "5EbgzxZd6zCVsdcDU6bkFQBxD9ow92YEdcJ2cit1sFf64uc3", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eo1/5Cg5QgjM/2025-02-01_17-56-38/1eo1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eo1/5Cg5QgjM/2025-02-01_17-56-38/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eo1/5Cg5QgjM/2025-02-01_17-56-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1eo1/5Cg5QgjM/2025-02-01_17-56-38/1eo1.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 228.73}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 228.73 }, "water": "amber14/tip3pfb.xml" }	-14366.1699	2025-02-01 19:14:55	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5CouGodv/2025-02-01_20-17-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5GjSmYTj/2025-02-01_20-17-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5EjRpczo/2025-02-01_20-17-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DEyuVfF/2025-02-01_20-17-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DST8S6N/2025-02-01_20-17-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5ELG8hgR/2025-02-01_20-17-45/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5EbgzxZd/2025-02-01_20-17-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DkvT79z/2025-02-01_20-17-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5Ec4Vqsh/2025-02-01_20-17-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DdAr5Uw/2025-02-01_20-17-46/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5CouGodv/2025-02-01_20-17-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5GjSmYTj/2025-02-01_20-17-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5EjRpczo/2025-02-01_20-17-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DEyuVfF/2025-02-01_20-17-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DST8S6N/2025-02-01_20-17-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5ELG8hgR/2025-02-01_20-17-45/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5EbgzxZd/2025-02-01_20-17-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DkvT79z/2025-02-01_20-17-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5Ec4Vqsh/2025-02-01_20-17-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1eo1/5Cg5QgjM/5DdAr5Uw/2025-02-01_20-17-46/md_0_1.cpt" ]
16673	84e3db5a-b27b-40d1-89a8-b9e01efc06b4	1mr6	2025-02-01 17:55:27	2025-02-01 20:24:33	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z	['5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR', '5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk', '5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE'] [ "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5EZJCvUK6jrZyUGavXZWUzXs1ncFuGgdGRqU8VSR9pE1WRBR", "5FTzckmnSmoSLRytt3Xkty3LikArjdTixs44dBCsy8sLUVSk", "5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mr6/5GKH9FPP/2025-02-01_17-55-25/1mr6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mr6/5GKH9FPP/2025-02-01_17-55-25/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mr6/5GKH9FPP/2025-02-01_17-55-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mr6/5GKH9FPP/2025-02-01_17-55-25/1mr6.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 275.91}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 275.91 }, "water": "amber14/tip3pfb.xml" }	-6198.2207	2025-02-01 19:07:47	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5H5wXPTT/2025-02-01_20-24-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5GR4rEwj/2025-02-01_20-24-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5Dc8cxYU/2025-02-01_20-24-46/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5HYkJT1S/2025-02-01_20-24-47/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5HHGSKLz/2025-02-01_20-24-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5DEyuVfF/2025-02-01_20-24-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5EZJCvUK/2025-02-01_20-24-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5FTzckmn/2025-02-01_20-24-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5F9nfJQE/2025-02-01_20-24-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5Grg3vXe/2025-02-01_20-24-50/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5H5wXPTT/2025-02-01_20-24-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5GR4rEwj/2025-02-01_20-24-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5Dc8cxYU/2025-02-01_20-24-46/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5HYkJT1S/2025-02-01_20-24-47/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5HHGSKLz/2025-02-01_20-24-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5DEyuVfF/2025-02-01_20-24-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5EZJCvUK/2025-02-01_20-24-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5FTzckmn/2025-02-01_20-24-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5F9nfJQE/2025-02-01_20-24-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1mr6/5GKH9FPP/5Grg3vXe/2025-02-01_20-24-50/md_0_1_old.cpt" ]
16672	73c05faf-2929-4691-ae6e-08c319ea0d32	1edi	2025-02-01 17:54:18	2025-02-01 20:23:02	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL	['5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM'] [ "5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5E9rJadEwvYkn75xcznoysgJtuk33xRuU8QP2BuTsGT9qcgG", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5ES6G8x2iQYzSVDnDsrRnD5odYSMCSfnDNC47MFzsHWQF1AM" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1edi/5GKH9FPP/2025-02-01_17-54-15/1edi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1edi/5GKH9FPP/2025-02-01_17-54-15/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1edi/5GKH9FPP/2025-02-01_17-54-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1edi/5GKH9FPP/2025-02-01_17-54-15/1edi.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 383.48}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.93, "temperature": 383.48 }, "water": "charmm36/water.xml" }	-3299.5334	2025-02-01 19:06:29	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5G9iNxym/2025-02-01_20-23-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5DndzPQR/2025-02-01_20-23-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5GGb3rhZ/2025-02-01_20-23-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5FKYxVkM/2025-02-01_20-23-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5EUX8Kuc/2025-02-01_20-23-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5CRrGY7J/2025-02-01_20-23-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5FF48AEJ/2025-02-01_20-23-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5E9rJadE/2025-02-01_20-23-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5DXvZ6kW/2025-02-01_20-23-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5ES6G8x2/2025-02-01_20-23-21/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5G9iNxym/2025-02-01_20-23-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5DndzPQR/2025-02-01_20-23-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5GGb3rhZ/2025-02-01_20-23-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5FKYxVkM/2025-02-01_20-23-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5EUX8Kuc/2025-02-01_20-23-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5CRrGY7J/2025-02-01_20-23-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5FF48AEJ/2025-02-01_20-23-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5E9rJadE/2025-02-01_20-23-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5DXvZ6kW/2025-02-01_20-23-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1edi/5GKH9FPP/5ES6G8x2/2025-02-01_20-23-21/md_0_1.cpt" ]
16671	38e2bbc2-c8a3-40e5-8d65-dd84a6fbcf49	2uyu	2025-02-01 17:54:15	2025-02-01 19:57:52	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze	['5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE', '5G4kqfwhurhV3cjMMd28JRWMYHQiFW51F6txfZaxWe63cBC9', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr'] [ "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5Gx3DkGGEJiUcseDJMKGeZVUfWBwh1cciYn1VmLcBWb92Ja2", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE", "5G4kqfwhurhV3cjMMd28JRWMYHQiFW51F6txfZaxWe63cBC9", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2uyu/5Cg5QgjM/2025-02-01_17-54-13/2uyu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2uyu/5Cg5QgjM/2025-02-01_17-54-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2uyu/5Cg5QgjM/2025-02-01_17-54-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2uyu/5Cg5QgjM/2025-02-01_17-54-13/2uyu.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 291.77}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 291.77 }, "water": "amber14/tip3pfb.xml" }	-34591.0078	2025-02-01 18:48:16	600	5	1500	1.000000	5	['', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5CMHnFiW/2025-02-01_19-57-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5Gx3DkGG/2025-02-01_19-57-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5HWFxVD3/2025-02-01_19-57-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5CX1t6qK/2025-02-01_19-57-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5D8JdLSr/2025-02-01_19-57-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5G4kqfwh/2025-02-01_19-57-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5FHgDbX7/2025-02-01_19-57-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5Eo36DdG/2025-02-01_19-57-55/md_0_1.cpt'] [ "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5CMHnFiW/2025-02-01_19-57-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5Gx3DkGG/2025-02-01_19-57-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5HWFxVD3/2025-02-01_19-57-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5CX1t6qK/2025-02-01_19-57-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5D8JdLSr/2025-02-01_19-57-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5G4kqfwh/2025-02-01_19-57-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5FHgDbX7/2025-02-01_19-57-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2uyu/5Cg5QgjM/5Eo36DdG/2025-02-01_19-57-55/md_0_1.cpt" ]
16670	67c51e99-66f1-4b34-a5bb-4b9b84e15e37	1srx	2025-02-01 17:54:03	2025-02-01 19:54:56	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW	['5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm'] [ "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5DvtSoBCdnpbazsiGHM2XH3hdoRriHNCtojbknjjmKZRoEbW", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1srx/5Cg5QgjM/2025-02-01_17-54-01/1srx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1srx/5Cg5QgjM/2025-02-01_17-54-01/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1srx/5Cg5QgjM/2025-02-01_17-54-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1srx/5Cg5QgjM/2025-02-01_17-54-01/1srx.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip3p.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 343.9}} { "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.04, "temperature": 343.9 }, "water": "amber14/tip3p.xml" }	-12466.9541	2025-02-01 18:45:42	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5Ca47zJP/2025-02-01_19-54-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5FZEixsS/2025-02-01_19-54-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5Eji3erb/2025-02-01_19-54-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5DPprcfa/2025-02-01_19-54-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5DvtSoBC/2025-02-01_19-54-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5GeFCh4z/2025-02-01_19-54-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5E7u7wM5/2025-02-01_19-54-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5C5mW9ze/2025-02-01_19-54-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5FcDSsb4/2025-02-01_19-54-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5CV8vqhD/2025-02-01_19-55-00/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5Ca47zJP/2025-02-01_19-54-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5FZEixsS/2025-02-01_19-54-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5Eji3erb/2025-02-01_19-54-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5DPprcfa/2025-02-01_19-54-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5DvtSoBC/2025-02-01_19-54-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5GeFCh4z/2025-02-01_19-54-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5E7u7wM5/2025-02-01_19-54-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5C5mW9ze/2025-02-01_19-54-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5FcDSsb4/2025-02-01_19-54-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1srx/5Cg5QgjM/5CV8vqhD/2025-02-01_19-55-00/md_0_1.cpt" ]