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
224	605dce02-2a3e-409b-92cc-25929453f139	6w8x	2025-01-10 06:34:05	2025-01-10 09:23:17	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ	['5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5CfhGjuG47Rq33JeFxhHmA3jRiXbPPWrGbKkZ7mv5Qq88oRK', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT'] [ "5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5CfhGjuG47Rq33JeFxhHmA3jRiXbPPWrGbKkZ7mv5Qq88oRK", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6w8x/5F2CsUDV/2025-01-10_06-34-02/6w8x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6w8x/5F2CsUDV/2025-01-10_06-34-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6w8x/5F2CsUDV/2025-01-10_06-34-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6w8x/5F2CsUDV/2025-01-10_06-34-02/6w8x.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/opc3.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 233.65}} { "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.06, "temperature": 233.65 }, "water": "amber14/opc3.xml" }	-377463.4375	2025-01-10 07:52:22	600	4	1500	1.000000	5	[''] [ "" ]
201	63964622-11cf-416c-8f8c-d40c1889b659	7z7w	2025-01-10 06:29:12	2025-01-10 08:07:39	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT	['5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5Ehbkz6kWjKcCiBbmcZrgkmh2vsTYq3wGaEBhhPQ2tkraM9E', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5GYMtHtpMWxJgLMcaGTXmgMx1FmGMqM3nD66fRZRFwYD9ohP', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ'] [ "5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5Ehbkz6kWjKcCiBbmcZrgkmh2vsTYq3wGaEBhhPQ2tkraM9E", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5GYMtHtpMWxJgLMcaGTXmgMx1FmGMqM3nD66fRZRFwYD9ohP", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7z7w/5F4tQyWr/2025-01-10_06-29-11/7z7w.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7z7w/5F4tQyWr/2025-01-10_06-29-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7z7w/5F4tQyWr/2025-01-10_06-29-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7z7w/5F4tQyWr/2025-01-10_06-29-11/7z7w.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 339.49}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 339.49 }, "water": "amber14/tip3pfb.xml" }	-3704.6050	2025-01-10 07:36:35	600	4	1500	1.000000	5	[''] [ "" ]
199	10390b38-8dcd-4256-97fd-4bda07f3d789	1f6i	2025-01-10 06:24:08	2025-01-10 08:07:20	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat	['5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227'] [ "5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6i/5F4tQyWr/2025-01-10_06-24-07/1f6i.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6i/5F4tQyWr/2025-01-10_06-24-07/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6i/5F4tQyWr/2025-01-10_06-24-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1f6i/5F4tQyWr/2025-01-10_06-24-07/1f6i.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 386.31}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 386.31 }, "water": "amber14/tip3pfb.xml" }	-5260.4102	2025-01-10 07:36:19	600	4	1500	1.000000	5	[''] [ "" ]
185	3bb35da0-f35c-4404-89b5-a56ed812c294	2vet	2025-01-10 06:17:20	2025-01-10 08:07:01	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t	['5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB', '5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC'] [ "5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB", "5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2vet/5F4tQyWr/2025-01-10_06-17-19/2vet.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2vet/5F4tQyWr/2025-01-10_06-17-19/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2vet/5F4tQyWr/2025-01-10_06-17-19/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2vet/5F4tQyWr/2025-01-10_06-17-19/2vet.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 311.82}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 311.82 }, "water": "amber14/tip3pfb.xml" }	-19945.3359	2025-01-10 07:35:21	600	4	1500	1.000000	5	[''] [ "" ]
221	d2f8e07b-b668-46ae-a5cd-3addf8f601f2	6b1o	2025-01-10 06:14:53	2025-01-10 09:06:11	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5CchUy6WjNF3NMTKNAuTMH3TuZAX5KCz63BHqzpabKFubxw1	['5CchUy6WjNF3NMTKNAuTMH3TuZAX5KCz63BHqzpabKFubxw1', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5HJwH2RBuD9NYbbKfnymJPGFcmXtfuBSaM9DhLUC2GA37X9z', '5DfSEtHiUm9zhk4NwP2uApd3iekYq4qiTKZa1gHKwM5AMgFU', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc', '5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe', '5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx'] [ "5CchUy6WjNF3NMTKNAuTMH3TuZAX5KCz63BHqzpabKFubxw1", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5HJwH2RBuD9NYbbKfnymJPGFcmXtfuBSaM9DhLUC2GA37X9z", "5DfSEtHiUm9zhk4NwP2uApd3iekYq4qiTKZa1gHKwM5AMgFU", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc", "5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe", "5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b1o/5F2CsUDV/2025-01-10_06-14-50/6b1o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b1o/5F2CsUDV/2025-01-10_06-14-50/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b1o/5F2CsUDV/2025-01-10_06-14-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6b1o/5F2CsUDV/2025-01-10_06-14-50/6b1o.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 252.95}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 252.95 }, "water": "amber14/tip3pfb.xml" }	-115194.3203	2025-01-10 07:35:28	600	4	1500	1.000000	5	[''] [ "" ]
220	d2677357-e63a-4368-bf7f-0859a23f3632	7pku	2025-01-10 06:14:50	2025-01-10 09:34:33	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96	['5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd'] [ "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5HonwvyF4i7iEa6j34WoWURQLEbSCmXaM425rswkzWKDL38n", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pku/5HEo565W/2025-01-10_06-14-49/7pku.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pku/5HEo565W/2025-01-10_06-14-49/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pku/5HEo565W/2025-01-10_06-14-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pku/5HEo565W/2025-01-10_06-14-49/7pku.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 373.47}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.95, "temperature": 373.47 }, "water": "charmm36/water.xml" }	-10245.5449	2025-01-10 07:46:14	600	4	1500	1.000000	5	[''] [ "" ]
219	ea8823be-caf3-45d8-9f47-7038f6aeb9b0	1mka	2025-01-10 06:12:47	2025-01-10 07:19:49	1	Yes	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7	['5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd'] [ "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mka/5Cg5QgjM/2025-01-10_06-12-46/1mka.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mka/5Cg5QgjM/2025-01-10_06-12-46/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mka/5Cg5QgjM/2025-01-10_06-12-46/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1mka/5Cg5QgjM/2025-01-10_06-12-46/1mka.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 394.5}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 394.5 }, "water": "amber14/tip3pfb.xml" }	-26194.4746	2025-01-10 06:44:14	600	4	1500	1.000000	5	[''] [ "" ]
184	84314c4f-ed46-4e1b-993a-28bfac071929	3ncj	2025-01-10 06:11:14	2025-01-10 08:05:49	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD	['5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722', '5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii', '5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD'] [ "5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722", "5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii", "5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ncj/5F4tQyWr/2025-01-10_06-11-12/3ncj.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ncj/5F4tQyWr/2025-01-10_06-11-12/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ncj/5F4tQyWr/2025-01-10_06-11-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ncj/5F4tQyWr/2025-01-10_06-11-12/3ncj.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 347.79}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 347.79 }, "water": "amber14/tip3pfb.xml" }	-24735.1465	2025-01-10 07:34:10	600	4	1500	1.000000	5	[''] [ "" ]
217	04dadf18-67e1-4d5a-b512-1c1cc72703d5	8hy6	2025-01-10 06:08:19	2025-01-10 09:00:13	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW	['5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y', '5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk'] [ "5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y", "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hy6/5F2CsUDV/2025-01-10_06-08-17/8hy6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hy6/5F2CsUDV/2025-01-10_06-08-17/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hy6/5F2CsUDV/2025-01-10_06-08-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hy6/5F2CsUDV/2025-01-10_06-08-17/8hy6.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 321.41}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 321.41 }, "water": "charmm36/water.xml" }	-12362.4775	2025-01-10 08:12:55	600	4	1500	1.000000	5	[''] [ "" ]
216	2f94a07f-a27c-40f3-ad5e-a01833203238	3vww	2025-01-10 06:07:50	2025-01-10 09:32:05	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp	['5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss'] [ "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3vww/5HEo565W/2025-01-10_06-07-49/3vww.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3vww/5HEo565W/2025-01-10_06-07-49/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3vww/5HEo565W/2025-01-10_06-07-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3vww/5HEo565W/2025-01-10_06-07-49/3vww.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 319.93}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 319.93 }, "water": "amber14/tip3pfb.xml" }	-21814.9023	2025-01-10 07:43:14	600	4	1500	1.000000	5	[''] [ "" ]
215	857551ea-44af-4d0c-bf70-c86c99e75dd4	1gmx	2025-01-10 06:07:26	2025-01-10 07:18:30	1	Yes	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9	['5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y', '5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK'] [ "5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y", "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gmx/5Cg5QgjM/2025-01-10_06-07-24/1gmx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gmx/5Cg5QgjM/2025-01-10_06-07-24/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gmx/5Cg5QgjM/2025-01-10_06-07-24/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gmx/5Cg5QgjM/2025-01-10_06-07-24/1gmx.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 227.41}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 227.41 }, "water": "charmm36/water.xml" }	-2951.2485	2025-01-10 06:42:52	600	4	1500	1.000000	5	[''] [ "" ]
213	fffc29c9-ec83-414f-839e-6af975ee5a06	5kr1	2025-01-10 06:02:55	2025-01-10 08:56:39	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr	['5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ', '5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9'] [ "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5DHXoVzPPECnsK3grT8zQ1vM2V9mYkqJxYfK8h5xMZaNRGSQ", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5FCcEuC3PG3mkEnRSSq4Jbv9uhRwEneSNo6ku2T9e2ChtGc9" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kr1/5F2CsUDV/2025-01-10_06-02-53/5kr1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kr1/5F2CsUDV/2025-01-10_06-02-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kr1/5F2CsUDV/2025-01-10_06-02-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5kr1/5F2CsUDV/2025-01-10_06-02-53/5kr1.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 242.34}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 242.34 }, "water": "amber14/tip3pfb.xml" }	-12216.1875	2025-01-10 08:09:21	600	4	1500	1.000000	5	[''] [ "" ]
212	6d3242da-ca14-4294-9b74-28d9c775ece1	4uet	2025-01-10 06:02:03	2025-01-10 07:17:21	1	Yes	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo	['5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV'] [ "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5F6bUfiSgUiQRGa3knpGvPgFrjv2NpYTJjPT5zKG4MeVjBcB", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4uet/5Cg5QgjM/2025-01-10_06-02-01/4uet.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4uet/5Cg5QgjM/2025-01-10_06-02-01/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4uet/5Cg5QgjM/2025-01-10_06-02-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4uet/5Cg5QgjM/2025-01-10_06-02-01/4uet.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/tip3p.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 373.65}} { "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.02, "temperature": 373.65 }, "water": "amber14/tip3p.xml" }	-14144.4990	2025-01-10 06:41:11	600	4	1500	1.000000	5	[''] [ "" ]
211	86bb7ee8-94df-4f0a-b2b6-0a897c708b6c	2dnv	2025-01-10 06:01:27	2025-01-10 09:30:48	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw	['5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA', '5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw', '5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv'] [ "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw", "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dnv/5HEo565W/2025-01-10_06-01-26/2dnv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dnv/5HEo565W/2025-01-10_06-01-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dnv/5HEo565W/2025-01-10_06-01-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2dnv/5HEo565W/2025-01-10_06-01-26/2dnv.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 355.77}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 355.77 }, "water": "charmm36/water.xml" }	-5298.2710	2025-01-10 07:41:30	600	4	1500	1.000000	5	[''] [ "" ]
209	e7acfd22-6cf5-43c4-b897-089a60c5dfc6	1a0z	2025-01-10 05:56:29	2025-01-10 07:16:54	1	Yes	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg	['5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex'] [ "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a0z/5Cg5QgjM/2025-01-10_05-56-27/1a0z.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a0z/5Cg5QgjM/2025-01-10_05-56-27/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a0z/5Cg5QgjM/2025-01-10_05-56-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1a0z/5Cg5QgjM/2025-01-10_05-56-27/1a0z.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 392.45}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 392.45 }, "water": "amber14/tip3pfb.xml" }	-24990.4336	2025-01-10 07:01:07	600	4	1500	1.000000	5	[''] [ "" ]
208	146dbd58-020c-4872-935f-a04e51287cfa	1t17	2025-01-10 05:54:17	2025-01-10 09:28:42	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr	['5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49'] [ "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1t17/5HEo565W/2025-01-10_05-54-16/1t17.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1t17/5HEo565W/2025-01-10_05-54-16/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1t17/5HEo565W/2025-01-10_05-54-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1t17/5HEo565W/2025-01-10_05-54-16/1t17.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/tip4pew.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 376.53}} { "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.04, "temperature": 376.53 }, "water": "amber14/tip4pew.xml" }	-14625.8613	2025-01-10 07:39:10	600	4	1500	1.000000	5	[''] [ "" ]
207	92861ca8-fe25-405d-b791-b88f041cdf72	3qv4	2025-01-10 05:48:50	2025-01-10 07:15:23	1	Yes	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG	['5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ', '5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm'] [ "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ", "5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qv4/5Cg5QgjM/2025-01-10_05-48-48/3qv4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qv4/5Cg5QgjM/2025-01-10_05-48-48/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qv4/5Cg5QgjM/2025-01-10_05-48-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3qv4/5Cg5QgjM/2025-01-10_05-48-48/3qv4.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 376.26}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 376.26 }, "water": "charmm36/water.xml" }	-45065.0234	2025-01-10 07:15:23	600	4	1500	1.000000	5	[''] [ "" ]
206	0c6826e5-f77f-4666-916c-95c77cc538ad	1ee2	2025-01-10 05:44:00	2025-01-10 07:38:08	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY	['5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy'] [ "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ee2/5HYk8DMK/2025-01-10_05-43-59/1ee2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ee2/5HYk8DMK/2025-01-10_05-43-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ee2/5HYk8DMK/2025-01-10_05-43-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ee2/5HYk8DMK/2025-01-10_05-43-59/1ee2.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 303.97}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 303.97 }, "water": "charmm36/water.xml" }	0.0000	2025-01-10 05:59:15	600	4	1500	1.000000	5	[''] [ "" ]
205	0cdaf257-effd-4771-8f4e-16a3d898a9c3	2alp	2025-01-10 05:43:25	2025-01-10 07:12:32	1	Yes	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT	['5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks', '5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg'] [ "5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2alp/5Cg5QgjM/2025-01-10_05-43-22/2alp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2alp/5Cg5QgjM/2025-01-10_05-43-22/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2alp/5Cg5QgjM/2025-01-10_05-43-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2alp/5Cg5QgjM/2025-01-10_05-43-22/2alp.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 215.2}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 215.2 }, "water": "amber14/tip3pfb.xml" }	-17701.3730	2025-01-10 06:35:20	600	4	1500	1.000000	5	[''] [ "" ]
204	2f5fc619-1a8c-45c8-9e4f-4438afbb0008	7zok	2025-01-10 05:37:07	2025-01-10 07:12:06	1	Yes	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr	['5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5DfSEtHiUm9zhk4NwP2uApd3iekYq4qiTKZa1gHKwM5AMgFU', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB', '5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA'] [ "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5DfSEtHiUm9zhk4NwP2uApd3iekYq4qiTKZa1gHKwM5AMgFU", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7zok/5Cg5QgjM/2025-01-10_05-37-05/7zok.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7zok/5Cg5QgjM/2025-01-10_05-37-05/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7zok/5Cg5QgjM/2025-01-10_05-37-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7zok/5Cg5QgjM/2025-01-10_05-37-05/7zok.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 312.56}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 312.56 }, "water": "amber14/tip3pfb.xml" }	-2526.3472	2025-01-10 06:34:55	600	4	1500	1.000000	5	[''] [ "" ]