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
4159	545f68e3-359f-40f9-9b25-a111d83a08f6	4w5m	2025-01-16 07:16:27	2025-01-16 09:05:23	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv	['5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK', '5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7'] [ "5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK", "5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4w5m/5FFApaS7/2025-01-16_07-16-26/4w5m.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4w5m/5FFApaS7/2025-01-16_07-16-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4w5m/5FFApaS7/2025-01-16_07-16-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4w5m/5FFApaS7/2025-01-16_07-16-26/4w5m.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 282.66}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 282.66 }, "water": "amber14/tip3pfb.xml" }	-1481.4210	2025-01-16 07:44:41	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5HW712Ei/2025-01-16_09-05-29/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5C4xDki7/2025-01-16_09-05-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5G6mzcBY/2025-01-16_09-05-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5CaPMXwr/2025-01-16_09-05-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5DST8S6N/2025-01-16_09-05-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5ENZdoRq/2025-01-16_09-05-30/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5HYficC7/2025-01-16_09-05-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5CV8vqhD/2025-01-16_09-05-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5ELAucCJ/2025-01-16_09-05-30/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5HW712Ei/2025-01-16_09-05-29/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5C4xDki7/2025-01-16_09-05-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5G6mzcBY/2025-01-16_09-05-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5CaPMXwr/2025-01-16_09-05-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5DST8S6N/2025-01-16_09-05-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5ENZdoRq/2025-01-16_09-05-30/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5HYficC7/2025-01-16_09-05-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5CV8vqhD/2025-01-16_09-05-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4w5m/5FFApaS7/5ELAucCJ/2025-01-16_09-05-30/md_0_1.cpt" ]
4158	5d3eee84-4e7e-43e4-b932-ca2deb72ddab	1k64	2025-01-16 07:15:01	2025-01-16 09:04:19	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94	['5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29', '5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ'] [ "5DoBcTU4bAS1Fq3b93Rea9LyXh2EBiXYZAUzL7s4UtT73BY3", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k64/5FFApaS7/2025-01-16_07-15-00/1k64.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k64/5FFApaS7/2025-01-16_07-15-00/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k64/5FFApaS7/2025-01-16_07-15-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1k64/5FFApaS7/2025-01-16_07-15-00/1k64.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 382.95}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 382.95 }, "water": "amber14/tip3pfb.xml" }	-1420.8162	2025-01-16 08:02:11	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5DoBcTU4/2025-01-16_09-04-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5GjSmYTj/2025-01-16_09-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5DndzPQR/2025-01-16_09-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5Gurm68i/2025-01-16_09-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5CAz8emp/2025-01-16_09-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5G3onMPU/2025-01-16_09-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5GpYkazm/2025-01-16_09-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5Gxd4M3M/2025-01-16_09-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5Cd59oQs/2025-01-16_09-04-26/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5DoBcTU4/2025-01-16_09-04-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5GjSmYTj/2025-01-16_09-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5DndzPQR/2025-01-16_09-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5Gurm68i/2025-01-16_09-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5CAz8emp/2025-01-16_09-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5G3onMPU/2025-01-16_09-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5GpYkazm/2025-01-16_09-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5Gxd4M3M/2025-01-16_09-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1k64/5FFApaS7/5Cd59oQs/2025-01-16_09-04-26/md_0_1.cpt" ]
4157	9a58195a-a4ee-4eaa-8fed-3e74a7b0bbd4	5tad	2025-01-16 07:13:27	2025-01-16 09:02:38	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW	['5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd', '5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8'] [ "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd", "5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tad/5HEo565W/2025-01-16_07-13-26/5tad.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tad/5HEo565W/2025-01-16_07-13-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tad/5HEo565W/2025-01-16_07-13-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5tad/5HEo565W/2025-01-16_07-13-26/5tad.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 282.94}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 282.94 }, "water": "charmm36/water.xml" }	-12480.0381	2025-01-16 07:59:33	600	4	1500	1.000000	5	[''] [ "" ]
4156	00116718-97d9-4294-92f8-e4015f9b9250	5mf9	2025-01-16 07:09:26	2025-01-16 09:23:02	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm	['5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW'] [ "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5mf9/5F2CsUDV/2025-01-16_07-09-22/5mf9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5mf9/5F2CsUDV/2025-01-16_07-09-22/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5mf9/5F2CsUDV/2025-01-16_07-09-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5mf9/5F2CsUDV/2025-01-16_07-09-22/5mf9.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 218.74}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 218.74 }, "water": "amber14/tip3pfb.xml" }	-6124.0347	2025-01-16 08:27:52	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5FkBB721/2025-01-16_09-23-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5GjSmYTj/2025-01-16_09-23-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5FeeZzWZ/2025-01-16_09-23-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5H1PLX45/2025-01-16_09-23-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5Fuos1nD/2025-01-16_09-23-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5H5wXPTT/2025-01-16_09-23-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5Gy8GULq/2025-01-16_09-23-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5DPprcfa/2025-01-16_09-23-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5HdFjgzv/2025-01-16_09-23-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5GhHYpa2/2025-01-16_09-23-13/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5FkBB721/2025-01-16_09-23-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5GjSmYTj/2025-01-16_09-23-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5FeeZzWZ/2025-01-16_09-23-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5H1PLX45/2025-01-16_09-23-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5Fuos1nD/2025-01-16_09-23-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5H5wXPTT/2025-01-16_09-23-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5Gy8GULq/2025-01-16_09-23-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5DPprcfa/2025-01-16_09-23-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5HdFjgzv/2025-01-16_09-23-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5mf9/5F2CsUDV/5GhHYpa2/2025-01-16_09-23-13/md_0_1_old.cpt" ]
4155	e55ebfec-fa29-4f92-9b44-dcbb5a5bc8a8	2cow	2025-01-16 07:08:00	2025-01-16 08:58:59	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96	['5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z'] [ "5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cow/5HEo565W/2025-01-16_07-08-00/2cow.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cow/5HEo565W/2025-01-16_07-08-00/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cow/5HEo565W/2025-01-16_07-08-00/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cow/5HEo565W/2025-01-16_07-08-00/2cow.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 320.39}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 320.39 }, "water": "amber14/tip3pfb.xml" }	-9493.8623	2025-01-16 07:56:08	600	4	1500	1.000000	5	[''] [ "" ]
4154	62f480e5-9b2b-45c4-b537-250ba80a2a5c	2boa	2025-01-16 07:07:29	2025-01-16 08:54:14	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm	['5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR'] [ "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2boa/5HYk8DMK/2025-01-16_07-07-27/2boa.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2boa/5HYk8DMK/2025-01-16_07-07-27/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2boa/5HYk8DMK/2025-01-16_07-07-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2boa/5HYk8DMK/2025-01-16_07-07-27/2boa.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 266.51}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 266.51 }, "water": "amber14/tip3pfb.xml" }	-81325.8516	2025-01-16 08:04:36	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5Fuos1nD/2025-01-16_08-54-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5FEvCEPi/2025-01-16_08-54-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5Dyv2T3R/2025-01-16_08-54-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5Eji3erb/2025-01-16_08-54-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5DCKyeLF/2025-01-16_08-54-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5ELBjjiT/2025-01-16_08-54-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5HjbTouu/2025-01-16_08-54-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5HbgRnCL/2025-01-16_08-54-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5E4Sun3n/2025-01-16_08-54-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5CcabLox/2025-01-16_08-54-24/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5Fuos1nD/2025-01-16_08-54-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5FEvCEPi/2025-01-16_08-54-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5Dyv2T3R/2025-01-16_08-54-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5Eji3erb/2025-01-16_08-54-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5DCKyeLF/2025-01-16_08-54-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5ELBjjiT/2025-01-16_08-54-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5HjbTouu/2025-01-16_08-54-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5HbgRnCL/2025-01-16_08-54-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5E4Sun3n/2025-01-16_08-54-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2boa/5HYk8DMK/5CcabLox/2025-01-16_08-54-24/md_0_1_old.cpt" ]
4109	43cab87d-a8b9-4619-b337-8e7ebd9e98bd	3hpn	2025-01-16 07:02:54	2025-01-16 09:21:19	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t	['5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ', '5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD', '5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP'] [ "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ", "5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hpn/5F4tQyWr/2025-01-16_07-02-53/3hpn.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hpn/5F4tQyWr/2025-01-16_07-02-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hpn/5F4tQyWr/2025-01-16_07-02-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3hpn/5F4tQyWr/2025-01-16_07-02-53/3hpn.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 273.02}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 273.02 }, "water": "amber14/tip3pfb.xml" }	-91030.8125	2025-01-16 08:39:09	600	7	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5Cd59oQs/2025-01-16_09-21-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5GxjqYXt/2025-01-16_09-21-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5HW712Ei/2025-01-16_09-21-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5DUmNo3Q/2025-01-16_09-21-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5HYQvFSS/2025-01-16_09-21-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5C5mW9ze/2025-01-16_09-21-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5GpYkazm/2025-01-16_09-21-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5DMN7X5j/2025-01-16_09-21-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5FEvCEPi/2025-01-16_09-21-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5HpvMUZG/2025-01-16_09-21-36/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5Cd59oQs/2025-01-16_09-21-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5GxjqYXt/2025-01-16_09-21-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5HW712Ei/2025-01-16_09-21-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5DUmNo3Q/2025-01-16_09-21-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5HYQvFSS/2025-01-16_09-21-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5C5mW9ze/2025-01-16_09-21-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5GpYkazm/2025-01-16_09-21-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5DMN7X5j/2025-01-16_09-21-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5FEvCEPi/2025-01-16_09-21-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3hpn/5F4tQyWr/5HpvMUZG/2025-01-16_09-21-36/md_0_1.cpt" ]
4148	8c2086c4-3f97-4e60-af13-afae52fc1afe	1wza	2025-01-16 06:56:41	2025-01-16 09:29:46	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn	['5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds', '5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96'] [ "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds", "5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wza/5FFApaS7/2025-01-16_06-56-40/1wza.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wza/5FFApaS7/2025-01-16_06-56-40/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wza/5FFApaS7/2025-01-16_06-56-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1wza/5FFApaS7/2025-01-16_06-56-40/1wza.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 317.28}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 317.28 }, "water": "charmm36/water.xml" }	-21003.1660	2025-01-16 08:40:31	600	7	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5HR74jwT/2025-01-16_09-29-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5DAAjjm6/2025-01-16_09-29-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5GR4rEwj/2025-01-16_09-29-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5CoEdgdk/2025-01-16_09-29-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5ESAZwTf/2025-01-16_09-29-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5DV5sJdm/2025-01-16_09-29-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5Dyv2T3R/2025-01-16_09-29-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5CMEJjrh/2025-01-16_09-29-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5EUoy59V/2025-01-16_09-29-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5HdtUhXT/2025-01-16_09-29-54/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5HR74jwT/2025-01-16_09-29-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5DAAjjm6/2025-01-16_09-29-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5GR4rEwj/2025-01-16_09-29-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5CoEdgdk/2025-01-16_09-29-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5ESAZwTf/2025-01-16_09-29-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5DV5sJdm/2025-01-16_09-29-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5Dyv2T3R/2025-01-16_09-29-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5CMEJjrh/2025-01-16_09-29-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5EUoy59V/2025-01-16_09-29-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1wza/5FFApaS7/5HdtUhXT/2025-01-16_09-29-54/md_0_1.cpt" ]
4147	06204261-756d-4429-af92-5c697176234a	2lgy	2025-01-16 06:54:48	2025-01-16 08:36:14	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4	['5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau'] [ "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lgy/5FFApaS7/2025-01-16_06-54-47/2lgy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lgy/5FFApaS7/2025-01-16_06-54-47/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lgy/5FFApaS7/2025-01-16_06-54-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lgy/5FFApaS7/2025-01-16_06-54-47/2lgy.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 272.0}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 272.0 }, "water": "amber14/tip3pfb.xml" }	-10084.3516	2025-01-16 07:39:49	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5HNjFXXT/2025-01-16_08-36-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5DXoR5AN/2025-01-16_08-36-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5FjT2qPt/2025-01-16_08-36-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5HHActHD/2025-01-16_08-36-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5CvYGBVf/2025-01-16_08-36-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5FeeZzWZ/2025-01-16_08-36-26/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5GNeDT2Z/2025-01-16_08-36-26/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5DFuo6i7/2025-01-16_08-36-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5HWFxVD3/2025-01-16_08-36-26/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5HNjFXXT/2025-01-16_08-36-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5DXoR5AN/2025-01-16_08-36-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5FjT2qPt/2025-01-16_08-36-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5HHActHD/2025-01-16_08-36-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5CvYGBVf/2025-01-16_08-36-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5FeeZzWZ/2025-01-16_08-36-26/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5GNeDT2Z/2025-01-16_08-36-26/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5DFuo6i7/2025-01-16_08-36-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lgy/5FFApaS7/5HWFxVD3/2025-01-16_08-36-26/md_0_1.cpt" ]
4146	aaed9f63-b82f-4f33-887a-d69367375c0e	1czu	2025-01-16 06:54:14	2025-01-16 08:02:50	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9	['5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9'] [ "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1czu/5CzFiYvB/2025-01-16_06-54-12/1czu.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1czu/5CzFiYvB/2025-01-16_06-54-12/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1czu/5CzFiYvB/2025-01-16_06-54-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1czu/5CzFiYvB/2025-01-16_06-54-12/1czu.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 315.48}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 315.48 }, "water": "amber14/tip3pfb.xml" }	-5801.9668	2025-01-16 07:25:12	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5DndzPQR/2025-01-16_08-02-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5Grg3vXe/2025-01-16_08-02-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5FkBB721/2025-01-16_08-02-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5CarftSX/2025-01-16_08-02-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5FFFNMin/2025-01-16_08-02-59/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5DndzPQR/2025-01-16_08-02-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5Grg3vXe/2025-01-16_08-02-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5FkBB721/2025-01-16_08-02-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5CarftSX/2025-01-16_08-02-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1czu/5CzFiYvB/5FFFNMin/2025-01-16_08-02-59/md_0_1.cpt" ]
4145	6716b962-4ac2-4286-a38e-ac9b0b6088ac	1ct2	2025-01-16 06:52:06	2025-01-16 08:02:27	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY	['5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY', '5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc', '5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA'] [ "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY", "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc", "5G3onMPUu1PiXcAFtVqe5rduPJgejG3CJB6DL29h8qdkAadA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ct2/5CzFiYvB/2025-01-16_06-52-05/1ct2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ct2/5CzFiYvB/2025-01-16_06-52-05/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ct2/5CzFiYvB/2025-01-16_06-52-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ct2/5CzFiYvB/2025-01-16_06-52-05/1ct2.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 341.72}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 341.72 }, "water": "amber14/tip3pfb.xml" }	-19729.7461	2025-01-16 07:24:13	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5EjRpczo/2025-01-16_08-02-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5EHLjg67/2025-01-16_08-02-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5ELgovom/2025-01-16_08-02-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5HoxoJ75/2025-01-16_08-02-33/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5G3onMPU/2025-01-16_08-02-34/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5EjRpczo/2025-01-16_08-02-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5EHLjg67/2025-01-16_08-02-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5ELgovom/2025-01-16_08-02-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5HoxoJ75/2025-01-16_08-02-33/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ct2/5CzFiYvB/5G3onMPU/2025-01-16_08-02-34/md_0_1_old.cpt" ]
4144	9c840370-dce3-4f24-a676-20785f229c3a	2b6w	2025-01-16 06:52:00	2025-01-16 08:01:21	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL	['5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS', '5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW'] [ "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5GpsZaPfz8GzXiQUUQqEUNZ7UTH5U63RcaKk3wvMxdSng6yS", "5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2b6w/5CzFiYvB/2025-01-16_06-51-59/2b6w.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2b6w/5CzFiYvB/2025-01-16_06-51-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2b6w/5CzFiYvB/2025-01-16_06-51-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2b6w/5CzFiYvB/2025-01-16_06-51-59/2b6w.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 258.0}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 258.0 }, "water": "amber14/tip3pfb.xml" }	-17796.6426	2025-01-16 07:23:14	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5CRrGY7J/2025-01-16_08-01-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5GpsZaPf/2025-01-16_08-01-29/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5Dnu8Ats/2025-01-16_08-01-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5DFuo6i7/2025-01-16_08-01-30/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5CRrGY7J/2025-01-16_08-01-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5GpsZaPf/2025-01-16_08-01-29/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5Dnu8Ats/2025-01-16_08-01-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2b6w/5CzFiYvB/5DFuo6i7/2025-01-16_08-01-30/md_0_1.cpt" ]
4143	4e775df2-26fa-40de-9066-d32dd7cdb3da	2mhh	2025-01-16 06:50:03	2025-01-16 08:47:47	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT	['5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s'] [ "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhh/5GKH9FPP/2025-01-16_06-50-01/2mhh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhh/5GKH9FPP/2025-01-16_06-50-01/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhh/5GKH9FPP/2025-01-16_06-50-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mhh/5GKH9FPP/2025-01-16_06-50-01/2mhh.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 372.79}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 372.79 }, "water": "charmm36/water.xml" }	-5377.4199	2025-01-16 07:52:45	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5HR74jwT/2025-01-16_08-47-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5Fuos1nD/2025-01-16_08-47-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5Grg3vXe/2025-01-16_08-47-56/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5HTGnSe5/2025-01-16_08-47-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5Dka3Vh6/2025-01-16_08-47-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5DCKyeLF/2025-01-16_08-47-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5C7LuavG/2025-01-16_08-47-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5FFZBVP6/2025-01-16_08-47-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5GrmnoWJ/2025-01-16_08-47-59/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5HR74jwT/2025-01-16_08-47-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5Fuos1nD/2025-01-16_08-47-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5Grg3vXe/2025-01-16_08-47-56/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5HTGnSe5/2025-01-16_08-47-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5Dka3Vh6/2025-01-16_08-47-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5DCKyeLF/2025-01-16_08-47-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5C7LuavG/2025-01-16_08-47-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5FFZBVP6/2025-01-16_08-47-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2mhh/5GKH9FPP/5GrmnoWJ/2025-01-16_08-47-59/md_0_1.cpt" ]
4142	5f12dee0-e37f-4224-a63c-082f6e364009	1blr	2025-01-16 06:49:43	2025-01-16 08:45:37	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31	['5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8'] [ "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5ESAZwTfHUe9S7nE9Pioz12Y1nV4f6UfuwCFsKg9A3qPL5Ds", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1blr/5GKH9FPP/2025-01-16_06-49-40/1blr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1blr/5GKH9FPP/2025-01-16_06-49-40/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1blr/5GKH9FPP/2025-01-16_06-49-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1blr/5GKH9FPP/2025-01-16_06-49-40/1blr.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 231.58}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.92, "temperature": 231.58 }, "water": "charmm36/water.xml" }	-12877.6533	2025-01-16 07:50:35	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5HYVRNRE/2025-01-16_08-45-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5ESAZwTf/2025-01-16_08-45-44/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5H8rX8Zb/2025-01-16_08-45-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5GH6U3JX/2025-01-16_08-45-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5GsSM359/2025-01-16_08-45-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5ESEfcCx/2025-01-16_08-45-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5C4xDki7/2025-01-16_08-45-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5FNEiDZG/2025-01-16_08-45-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5GjSmYTj/2025-01-16_08-45-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5DJ6gt2p/2025-01-16_08-45-47/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5HYVRNRE/2025-01-16_08-45-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5ESAZwTf/2025-01-16_08-45-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5H8rX8Zb/2025-01-16_08-45-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5GH6U3JX/2025-01-16_08-45-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5GsSM359/2025-01-16_08-45-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5ESEfcCx/2025-01-16_08-45-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5C4xDki7/2025-01-16_08-45-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5FNEiDZG/2025-01-16_08-45-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5GjSmYTj/2025-01-16_08-45-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1blr/5GKH9FPP/5DJ6gt2p/2025-01-16_08-45-47/md_0_1.cpt" ]
4141	cb0466a8-70d2-4630-8c7a-fdcc6c3d7e6e	2av1	2025-01-16 06:48:57	2025-01-16 08:57:41	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg	['5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5', '5DhSxzw7fRgsqQmJHnb8ta84x9Bqt1nWhEUUyd6JvwGKM6ix', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY', '5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg'] [ "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5", "5DhSxzw7fRgsqQmJHnb8ta84x9Bqt1nWhEUUyd6JvwGKM6ix", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY", "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2av1/5HEo565W/2025-01-16_06-48-57/2av1.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2av1/5HEo565W/2025-01-16_06-48-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2av1/5HEo565W/2025-01-16_06-48-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2av1/5HEo565W/2025-01-16_06-48-57/2av1.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 342.41}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 342.41 }, "water": "amber14/tip3pfb.xml" }	-71575.4297	2025-01-16 07:54:54	600	4	1500	1.000000	5	[''] [ "" ]
4098	cd7862d7-729a-4c4c-a7a7-a862f3a04b32	2ee8	2025-01-16 06:47:59	2025-01-16 08:16:21	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL	['5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL'] [ "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ee8/5F4tQyWr/2025-01-16_06-47-58/2ee8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ee8/5F4tQyWr/2025-01-16_06-47-58/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ee8/5F4tQyWr/2025-01-16_06-47-58/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ee8/5F4tQyWr/2025-01-16_06-47-58/2ee8.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 284.8}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 284.8 }, "water": "charmm36/water.xml" }	-5301.9292	2025-01-16 07:28:23	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5GrzLRi3/2025-01-16_08-16-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5Grg3vXe/2025-01-16_08-16-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5EkYTG9y/2025-01-16_08-16-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5DU7YwrR/2025-01-16_08-16-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5HbgRnCL/2025-01-16_08-16-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5HpCxvH5/2025-01-16_08-16-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5HHActHD/2025-01-16_08-16-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5EyWAbu3/2025-01-16_08-16-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5CcabLox/2025-01-16_08-16-30/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5Fs8ex9e/2025-01-16_08-16-30/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5GrzLRi3/2025-01-16_08-16-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5Grg3vXe/2025-01-16_08-16-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5EkYTG9y/2025-01-16_08-16-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5DU7YwrR/2025-01-16_08-16-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5HbgRnCL/2025-01-16_08-16-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5HpCxvH5/2025-01-16_08-16-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5HHActHD/2025-01-16_08-16-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5EyWAbu3/2025-01-16_08-16-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5CcabLox/2025-01-16_08-16-30/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ee8/5F4tQyWr/5Fs8ex9e/2025-01-16_08-16-30/md_0_1.cpt" ]
4140	6676752c-dcf6-4075-8918-443e47b1845c	1xi2	2025-01-16 06:47:35	2025-01-16 09:08:20	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV	['5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp'] [ "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5DRiwcLf4Go8XR9b8KnT2BpoeDoDn5Xegn8FvDtb91UnLcbn", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xi2/5Cg5QgjM/2025-01-16_06-47-33/1xi2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xi2/5Cg5QgjM/2025-01-16_06-47-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xi2/5Cg5QgjM/2025-01-16_06-47-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1xi2/5Cg5QgjM/2025-01-16_06-47-33/1xi2.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 276.32}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 276.32 }, "water": "amber14/tip3pfb.xml" }	-34282.1914	2025-01-16 08:26:18	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5HmPbPUa/2025-01-16_09-08-26/nvt_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5Gxd4M3M/2025-01-16_09-08-27/nvt_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5HKMcnD5/2025-01-16_09-08-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5FRHk95S/2025-01-16_09-08-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5Fv5nUTQ/2025-01-16_09-08-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5DRiwcLf/2025-01-16_09-08-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5EjRpczo/2025-01-16_09-08-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5GutyMJ2/2025-01-16_09-08-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5CAz8emp/2025-01-16_09-08-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5DST8S6N/2025-01-16_09-08-30/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5HmPbPUa/2025-01-16_09-08-26/nvt_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5Gxd4M3M/2025-01-16_09-08-27/nvt_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5HKMcnD5/2025-01-16_09-08-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5FRHk95S/2025-01-16_09-08-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5Fv5nUTQ/2025-01-16_09-08-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5DRiwcLf/2025-01-16_09-08-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5EjRpczo/2025-01-16_09-08-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5GutyMJ2/2025-01-16_09-08-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5CAz8emp/2025-01-16_09-08-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1xi2/5Cg5QgjM/5DST8S6N/2025-01-16_09-08-30/md_0_1.cpt" ]
4139	d27ecb4f-a280-4960-b6bf-ac093ec5de97	8r8y	2025-01-16 06:39:21	2025-01-16 08:14:33	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf	['5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD'] [ "5ELBjjiTyVUVLH4yX5Ty4v4BU52Xf5dbYkGG3uPHzvwQneLf", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8r8y/5FFApaS7/2025-01-16_06-39-20/8r8y.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8r8y/5FFApaS7/2025-01-16_06-39-20/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8r8y/5FFApaS7/2025-01-16_06-39-20/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8r8y/5FFApaS7/2025-01-16_06-39-20/8r8y.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 314.71}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.94, "temperature": 314.71 }, "water": "charmm36/water.xml" }	-5654.3496	2025-01-16 07:23:39	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5ELBjjiT/2025-01-16_08-14-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HYkJT1S/2025-01-16_08-14-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HMrjPv6/2025-01-16_08-14-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5DhhnQF1/2025-01-16_08-14-44/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5GrmnoWJ/2025-01-16_08-14-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5EX5Lx7s/2025-01-16_08-14-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5GbrDsYK/2025-01-16_08-14-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5CRrGY7J/2025-01-16_08-14-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HdRGSwc/2025-01-16_08-14-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HYQvFSS/2025-01-16_08-14-50/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5ELBjjiT/2025-01-16_08-14-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HYkJT1S/2025-01-16_08-14-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HMrjPv6/2025-01-16_08-14-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5DhhnQF1/2025-01-16_08-14-44/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5GrmnoWJ/2025-01-16_08-14-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5EX5Lx7s/2025-01-16_08-14-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5GbrDsYK/2025-01-16_08-14-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5CRrGY7J/2025-01-16_08-14-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HdRGSwc/2025-01-16_08-14-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8r8y/5FFApaS7/5HYQvFSS/2025-01-16_08-14-50/md_0_1.cpt" ]
4138	b66d6f5a-5001-4421-978b-19a0ea0356da	3lxs	2025-01-16 06:38:14	2025-01-16 07:46:54	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB	['5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB'] [ "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lxs/5CzFiYvB/2025-01-16_06-38-12/3lxs.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lxs/5CzFiYvB/2025-01-16_06-38-12/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lxs/5CzFiYvB/2025-01-16_06-38-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3lxs/5CzFiYvB/2025-01-16_06-38-12/3lxs.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 227.62}} { "box": "cube", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.03, "temperature": 227.62 }, "water": "amber14/tip3pfb.xml" }	-45566.2578	2025-01-16 07:08:36	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5DhPQXgo/2025-01-16_07-47-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5HHGSKLz/2025-01-16_07-47-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5GR4rEwj/2025-01-16_07-47-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5CMEJjrh/2025-01-16_07-47-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5HbgRnCL/2025-01-16_07-47-03/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5DhPQXgo/2025-01-16_07-47-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5HHGSKLz/2025-01-16_07-47-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5GR4rEwj/2025-01-16_07-47-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5CMEJjrh/2025-01-16_07-47-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3lxs/5CzFiYvB/5HbgRnCL/2025-01-16_07-47-03/md_0_1.cpt" ]
4137	b2eeaa66-8597-445a-aa82-28cb76731a7d	5e0z	2025-01-16 06:38:10	2025-01-16 08:53:21	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw	['5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA'] [ "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5CDCQEwChS2moin2bcHyZY7SzzrAPrTRfGDx3ZFY9s57aFMw", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5e0z/5HEo565W/2025-01-16_06-38-09/5e0z.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5e0z/5HEo565W/2025-01-16_06-38-09/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5e0z/5HEo565W/2025-01-16_06-38-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5e0z/5HEo565W/2025-01-16_06-38-09/5e0z.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 267.25}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 267.25 }, "water": "amber14/tip3pfb.xml" }	-12388.0996	2025-01-16 07:49:54	600	4	1500	1.000000	5	[''] [ "" ]