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
2281	c3f05fdf-b30d-4a42-98b8-d48a0e871a34	2gz7	2025-01-13 11:40:18	2025-01-13 13:18:39	1	Yes	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd	['5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd', '5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL'] [ "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2gz7/5FFApaS7/2025-01-13_11-40-17/2gz7.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2gz7/5FFApaS7/2025-01-13_11-40-17/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2gz7/5FFApaS7/2025-01-13_11-40-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2gz7/5FFApaS7/2025-01-13_11-40-17/2gz7.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 253.48}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 253.48 }, "water": "amber14/tip3pfb.xml" }	-27620.3457	2025-01-13 12:15:49	600	4	1500	1.000000	5	[''] [ "" ]
2280	02acf0ef-3613-4565-aa50-6001cccbcc01	6tey	2025-01-13 11:40:16	2025-01-13 14:33:57	1	Yes	No	5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2	5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp	['5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv'] [ "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tey/5HEo565W/2025-01-13_11-40-15/6tey.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tey/5HEo565W/2025-01-13_11-40-15/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tey/5HEo565W/2025-01-13_11-40-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tey/5HEo565W/2025-01-13_11-40-15/6tey.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 209.68}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 209.68 }, "water": "amber14/tip3pfb.xml" }	-4181.3057	2025-01-13 13:21:42	600	4	1500	1.000000	5	[''] [ "" ]
2279	bb8f6a49-0465-4361-bd63-1ed7f5b4d4b1	7dy4	2025-01-13 11:35:11	2025-01-13 13:11:16	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9	['5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg'] [ "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7dy4/5CzFiYvB/2025-01-13_11-35-09/7dy4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7dy4/5CzFiYvB/2025-01-13_11-35-09/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7dy4/5CzFiYvB/2025-01-13_11-35-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7dy4/5CzFiYvB/2025-01-13_11-35-09/7dy4.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 275.63}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 275.63 }, "water": "charmm36/water.xml" }	-26258.6895	2025-01-13 12:24:15	600	4	1500	1.000000	5	[''] [ "" ]
2278	d0835cf7-8d84-4178-b2ee-03afac596da5	1gfk	2025-01-13 11:34:58	2025-01-13 13:17:15	1	Yes	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu	['5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5GERuoBqGQjVmZvQTu53FEjw4nPEdfCR7nEt6aK1Ye2f45Ko', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5CJuq1tv3XqMmcBw9ohcNZuJUkVbYsUKyoomiCFLFC5Pewp9', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ'] [ "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5GERuoBqGQjVmZvQTu53FEjw4nPEdfCR7nEt6aK1Ye2f45Ko", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5CJuq1tv3XqMmcBw9ohcNZuJUkVbYsUKyoomiCFLFC5Pewp9", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gfk/5FFApaS7/2025-01-13_11-34-57/1gfk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gfk/5FFApaS7/2025-01-13_11-34-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gfk/5FFApaS7/2025-01-13_11-34-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gfk/5FFApaS7/2025-01-13_11-34-57/1gfk.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 267.53}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 267.53 }, "water": "charmm36/water.xml" }	-14301.5557	2025-01-13 12:14:20	600	4	1500	1.000000	5	[''] [ "" ]
2276	8946f8bb-a60f-419b-8a2f-3990a13e4da6	1h1a	2025-01-13 11:33:09	2025-01-13 13:31:14	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt	['5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy'] [ "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h1a/5CzFiYvB/2025-01-13_11-33-08/1h1a.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h1a/5CzFiYvB/2025-01-13_11-33-08/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h1a/5CzFiYvB/2025-01-13_11-33-08/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h1a/5CzFiYvB/2025-01-13_11-33-08/1h1a.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 266.87}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.94, "temperature": 266.87 }, "water": "charmm36/water.xml" }	-20357.1504	2025-01-13 13:08:14	600	5	1500	1.000000	5	[''] [ "" ]
2275	5cad280e-90a9-4aa0-99b5-0c71b2690f64	1x5x	2025-01-13 11:32:23	2025-01-13 13:17:25	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3	['5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC'] [ "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x5x/5Cg5QgjM/2025-01-13_11-32-21/1x5x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x5x/5Cg5QgjM/2025-01-13_11-32-21/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x5x/5Cg5QgjM/2025-01-13_11-32-21/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x5x/5Cg5QgjM/2025-01-13_11-32-21/1x5x.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 356.35}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.08, "temperature": 356.35 }, "water": "amber14/tip3pfb.xml" }	-5929.2881	2025-01-13 12:14:36	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5HNjFXXT/2025-01-13_13-17-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5ENVJyUM/2025-01-13_13-17-33/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5CQE5GHo/2025-01-13_13-17-33/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5GeFCh4z/2025-01-13_13-17-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5GjSmYTj/2025-01-13_13-17-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5Fs1deFx/2025-01-13_13-17-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5GehSP5B/2025-01-13_13-17-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5EnT7oy4/2025-01-13_13-17-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5EhxUCpu/2025-01-13_13-17-35/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5HNjFXXT/2025-01-13_13-17-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5ENVJyUM/2025-01-13_13-17-33/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5CQE5GHo/2025-01-13_13-17-33/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5GeFCh4z/2025-01-13_13-17-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5GjSmYTj/2025-01-13_13-17-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5Fs1deFx/2025-01-13_13-17-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5GehSP5B/2025-01-13_13-17-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5EnT7oy4/2025-01-13_13-17-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x5x/5Cg5QgjM/5EhxUCpu/2025-01-13_13-17-35/md_0_1.cpt" ]
2274	3042cc20-aede-42f5-ada1-b724fb202284	2pd2	2025-01-13 11:31:35	2025-01-13 15:37:00	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau	['5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2'] [ "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pd2/5F2CsUDV/2025-01-13_11-31-33/2pd2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pd2/5F2CsUDV/2025-01-13_11-31-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pd2/5F2CsUDV/2025-01-13_11-31-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2pd2/5F2CsUDV/2025-01-13_11-31-33/2pd2.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 357.78}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 357.78 }, "water": "charmm36/water.xml" }	-11355.3145	2025-01-13 14:14:07	600	4	1500	1.000000	5	[''] [ "" ]
2273	0eb2548e-5680-467d-8cbb-dc4576bd011b	2nbf	2025-01-13 11:31:15	2025-01-13 13:33:52	1	Yes	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK	['5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK', '5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd', '5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5H1KPL1ybHobXtbhk2b3cYeFR3A3xfZnDRyuT5Sii181KizQ', '5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ'] [ "5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK", "5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd", "5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5H1KPL1ybHobXtbhk2b3cYeFR3A3xfZnDRyuT5Sii181KizQ", "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nbf/5HYk8DMK/2025-01-13_11-31-14/2nbf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nbf/5HYk8DMK/2025-01-13_11-31-14/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nbf/5HYk8DMK/2025-01-13_11-31-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nbf/5HYk8DMK/2025-01-13_11-31-14/2nbf.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 386.87}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 386.87 }, "water": "amber14/tip3pfb.xml" }	-3568.1279	2025-01-13 12:15:46	600	4	1500	1.000000	5	[''] [ "" ]
2272	dadfa370-52bc-47de-b7c9-010f6c36905c	7pti	2025-01-13 11:30:58	2025-01-13 13:15:41	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg	['5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu', '5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD'] [ "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5GjydE9DeJVz85G9W65CE6VamCBp1XsvNvB9rVJ9sYBW8AyB", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pti/5Cg5QgjM/2025-01-13_11-30-56/7pti.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pti/5Cg5QgjM/2025-01-13_11-30-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pti/5Cg5QgjM/2025-01-13_11-30-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7pti/5Cg5QgjM/2025-01-13_11-30-56/7pti.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 234.08}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 234.08 }, "water": "charmm36/water.xml" }	-4475.5103	2025-01-13 12:14:14	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5FEvCEPi/2025-01-13_13-16-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5GjydE9D/2025-01-13_13-16-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5Gbc1Dzo/2025-01-13_13-16-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5F4Vi7rw/2025-01-13_13-16-35/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5C8aeZq1/2025-01-13_13-16-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5FH24sg8/2025-01-13_13-16-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5CkkTeB4/2025-01-13_13-16-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5DEyuVfF/2025-01-13_13-16-43/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5GH6U3JX/2025-01-13_13-16-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5HYQvFSS/2025-01-13_13-17-00/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5FEvCEPi/2025-01-13_13-16-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5GjydE9D/2025-01-13_13-16-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5Gbc1Dzo/2025-01-13_13-16-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5F4Vi7rw/2025-01-13_13-16-35/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5C8aeZq1/2025-01-13_13-16-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5FH24sg8/2025-01-13_13-16-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5CkkTeB4/2025-01-13_13-16-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5DEyuVfF/2025-01-13_13-16-43/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5GH6U3JX/2025-01-13_13-16-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7pti/5Cg5QgjM/5HYQvFSS/2025-01-13_13-17-00/md_0_1.cpt" ]
2245	bf476e4e-bed1-4eca-b4f5-510c9007916c	2ebq	2025-01-13 11:30:16	2025-01-13 13:29:27	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU	['5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU', '5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB', '5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og'] [ "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU", "5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5DjsaHfvbR3PzYdL4qzYFq7ogUEodRXWzUJudpz2kb3dYifB", "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ebq/5F4tQyWr/2025-01-13_11-30-15/2ebq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ebq/5F4tQyWr/2025-01-13_11-30-15/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ebq/5F4tQyWr/2025-01-13_11-30-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ebq/5F4tQyWr/2025-01-13_11-30-15/2ebq.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 331.64}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 331.64 }, "water": "amber14/tip3pfb.xml" }	-2850.0618	2025-01-13 12:45:42	600	4	1500	1.000000	5	[''] [ "" ]
2271	fbb78962-1f39-44ac-9efa-2f442a95f17a	2lzt	2025-01-13 11:26:36	2025-01-13 13:15:22	1	Yes	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX	['5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS'] [ "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzt/5FFApaS7/2025-01-13_11-26-35/2lzt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzt/5FFApaS7/2025-01-13_11-26-35/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzt/5FFApaS7/2025-01-13_11-26-35/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzt/5FFApaS7/2025-01-13_11-26-35/2lzt.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 224.27}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 224.27 }, "water": "charmm36/water.xml" }	-11366.6768	2025-01-13 12:12:18	600	4	1500	1.000000	5	[''] [ "" ]
2270	96d2b3c0-57e4-4646-90f7-049d659817ed	5z5x	2025-01-13 11:25:41	2025-01-13 13:13:56	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt	['5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd', '5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks', '5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii', '5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85', '5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx'] [ "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd", "5F78McCXtWnSYRgjDKLdhb7nTUcEV1Z19ZZtivwgZzQDRuks", "5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii", "5DMN7X5jRynNpy9TiDMNwJZMVqMxtGeZQNaTH1kMKTGgXb6j", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85", "5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z5x/5Cg5QgjM/2025-01-13_11-25-39/5z5x.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z5x/5Cg5QgjM/2025-01-13_11-25-39/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z5x/5Cg5QgjM/2025-01-13_11-25-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5z5x/5Cg5QgjM/2025-01-13_11-25-39/5z5x.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 365.93}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.97, "temperature": 365.93 }, "water": "charmm36/water.xml" }	-1118.4078	2025-01-13 12:12:41	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5GutyMJ2/2025-01-13_13-14-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5H3NbTt2/2025-01-13_13-14-04/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5GP8bKZp/2025-01-13_13-14-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5F78McCX/2025-01-13_13-14-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5HgWY1dw/2025-01-13_13-14-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5DMN7X5j/2025-01-13_13-14-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5CaUeYYY/2025-01-13_13-14-14/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5Hgxdexn/2025-01-13_13-14-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5DkonMmc/2025-01-13_13-14-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5Ca47zJP/2025-01-13_13-14-15/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5GutyMJ2/2025-01-13_13-14-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5H3NbTt2/2025-01-13_13-14-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5GP8bKZp/2025-01-13_13-14-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5F78McCX/2025-01-13_13-14-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5HgWY1dw/2025-01-13_13-14-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5DMN7X5j/2025-01-13_13-14-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5CaUeYYY/2025-01-13_13-14-14/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5Hgxdexn/2025-01-13_13-14-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5DkonMmc/2025-01-13_13-14-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5z5x/5Cg5QgjM/5Ca47zJP/2025-01-13_13-14-15/md_0_1.cpt" ]
2269	4ef80bb5-6190-43aa-98e4-ebc82db54052	2eyc	2025-01-13 11:25:30	2025-01-13 13:12:59	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg	['5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5Dt44NJ1LwB9JT9EibWo65wr2cp3hB4bbsMhayvQRz1paFt5', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982'] [ "5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5Dt44NJ1LwB9JT9EibWo65wr2cp3hB4bbsMhayvQRz1paFt5", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5DRmS4imcowYyjSHnMuMT656Abp4sYyBBq2mc5m1qiHGipWd", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eyc/5Cg5QgjM/2025-01-13_11-25-28/2eyc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eyc/5Cg5QgjM/2025-01-13_11-25-28/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eyc/5Cg5QgjM/2025-01-13_11-25-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2eyc/5Cg5QgjM/2025-01-13_11-25-28/2eyc.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 218.55}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 218.55 }, "water": "amber14/tip3pfb.xml" }	-3388.5361	2025-01-13 12:11:46	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5Fuos1nD/2025-01-13_13-13-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5Gdn7dSR/2025-01-13_13-13-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5Dt44NJ1/2025-01-13_13-13-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5FLh1jsy/2025-01-13_13-13-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5DPprcfa/2025-01-13_13-13-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5GpYkazm/2025-01-13_13-13-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5DRmS4im/2025-01-13_13-13-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5HMrjPv6/2025-01-13_13-13-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5G9u1Nxk/2025-01-13_13-13-09/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5Fuos1nD/2025-01-13_13-13-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5Gdn7dSR/2025-01-13_13-13-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5Dt44NJ1/2025-01-13_13-13-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5FLh1jsy/2025-01-13_13-13-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5DPprcfa/2025-01-13_13-13-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5GpYkazm/2025-01-13_13-13-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5DRmS4im/2025-01-13_13-13-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5HMrjPv6/2025-01-13_13-13-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2eyc/5Cg5QgjM/5G9u1Nxk/2025-01-13_13-13-09/md_0_1.cpt" ]
2267	a3d248fd-62ce-40a5-9153-560f60e568c3	1ypi	2025-01-13 11:24:12	2025-01-13 15:34:44	1	Yes	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6	['5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85'] [ "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ypi/5F2CsUDV/2025-01-13_11-24-10/1ypi.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ypi/5F2CsUDV/2025-01-13_11-24-10/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ypi/5F2CsUDV/2025-01-13_11-24-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ypi/5F2CsUDV/2025-01-13_11-24-10/1ypi.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 391.08}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 391.08 }, "water": "amber14/tip3pfb.xml" }	-34991.3867	2025-01-13 14:11:59	600	4	1500	1.000000	5	[''] [ "" ]
2266	c11f8745-8fbf-4971-9a34-e7b3532c2188	6sn8	2025-01-13 11:24:03	2025-01-13 14:34:05	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ	['5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5Ehbkz6kWjKcCiBbmcZrgkmh2vsTYq3wGaEBhhPQ2tkraM9E', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps'] [ "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5Ehbkz6kWjKcCiBbmcZrgkmh2vsTYq3wGaEBhhPQ2tkraM9E", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sn8/5Cg5QgjM/2025-01-13_11-24-01/6sn8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sn8/5Cg5QgjM/2025-01-13_11-24-01/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sn8/5Cg5QgjM/2025-01-13_11-24-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6sn8/5Cg5QgjM/2025-01-13_11-24-01/6sn8.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 328.8}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 328.8 }, "water": "amber14/tip3pfb.xml" }	-105140.4922	2025-01-13 14:03:07	600	8	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5CvYGBVf/2025-01-13_14-34-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Cd59oQs/2025-01-13_14-34-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Cfkokas/2025-01-13_14-34-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5CD6SYMs/2025-01-13_14-34-14/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5DU7YwrR/2025-01-13_14-34-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5HdRGSwc/2025-01-13_14-34-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Ehbkz6k/2025-01-13_14-34-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5GxgkVRW/2025-01-13_14-34-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Gurm68i/2025-01-13_14-34-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5DhNncUE/2025-01-13_14-34-17/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5CvYGBVf/2025-01-13_14-34-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Cd59oQs/2025-01-13_14-34-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Cfkokas/2025-01-13_14-34-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5CD6SYMs/2025-01-13_14-34-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5DU7YwrR/2025-01-13_14-34-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5HdRGSwc/2025-01-13_14-34-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Ehbkz6k/2025-01-13_14-34-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5GxgkVRW/2025-01-13_14-34-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5Gurm68i/2025-01-13_14-34-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6sn8/5Cg5QgjM/5DhNncUE/2025-01-13_14-34-17/md_0_1.cpt" ]
2265	da86de3d-6ee7-4245-8470-798efbcb45f1	1qa4	2025-01-13 11:23:06	2025-01-13 13:04:02	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy	['5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL'] [ "5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qa4/5Cg5QgjM/2025-01-13_11-23-05/1qa4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qa4/5Cg5QgjM/2025-01-13_11-23-05/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qa4/5Cg5QgjM/2025-01-13_11-23-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qa4/5Cg5QgjM/2025-01-13_11-23-05/1qa4.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 392.86}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 392.86 }, "water": "amber14/tip3pfb.xml" }	-4774.7119	2025-01-13 12:07:22	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5Ejk7zFv/2025-01-13_13-04-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DX8y4qK/2025-01-13_13-04-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DhPQXgo/2025-01-13_13-04-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5Dyv2T3R/2025-01-13_13-04-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DX42tfe/2025-01-13_13-04-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5EyWujpT/2025-01-13_13-04-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5Eji3erb/2025-01-13_13-04-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5CMHnFiW/2025-01-13_13-04-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DdAr5Uw/2025-01-13_13-04-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5EaCbdDs/2025-01-13_13-04-13/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5Ejk7zFv/2025-01-13_13-04-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DX8y4qK/2025-01-13_13-04-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DhPQXgo/2025-01-13_13-04-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5Dyv2T3R/2025-01-13_13-04-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DX42tfe/2025-01-13_13-04-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5EyWujpT/2025-01-13_13-04-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5Eji3erb/2025-01-13_13-04-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5CMHnFiW/2025-01-13_13-04-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5DdAr5Uw/2025-01-13_13-04-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1qa4/5Cg5QgjM/5EaCbdDs/2025-01-13_13-04-13/md_0_1.cpt" ]
2243	c252d610-6ae6-4b33-bb22-8618db47545a	4xma	2025-01-13 11:22:47	2025-01-13 13:29:08	1	Yes	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah	['5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ'] [ "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5G9u1NxkBRym1xTEJpME2qXa8dmcbwP2xbLBaUsNrskuB982", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5Cd59oQsUNvTWqi4Y1xkGBGErGYWD46dnrA3jeKiTxA5bYPQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xma/5F4tQyWr/2025-01-13_11-22-45/4xma.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xma/5F4tQyWr/2025-01-13_11-22-45/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xma/5F4tQyWr/2025-01-13_11-22-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xma/5F4tQyWr/2025-01-13_11-22-45/4xma.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 334.38}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 334.38 }, "water": "charmm36/water.xml" }	-27088.3359	2025-01-13 12:45:24	600	4	1500	1.000000	5	[''] [ "" ]
2264	042ddb70-0c1d-41d1-9c7c-b195b235f6e7	2igh	2025-01-13 11:21:59	2025-01-13 13:03:30	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6	['5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5EPdShgZxXW19S6WLzbP9ZuJKGkFpaKyHgMZ83Wndfg74jtu', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti'] [ "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5EPdShgZxXW19S6WLzbP9ZuJKGkFpaKyHgMZ83Wndfg74jtu", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2igh/5Cg5QgjM/2025-01-13_11-21-57/2igh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2igh/5Cg5QgjM/2025-01-13_11-21-57/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2igh/5Cg5QgjM/2025-01-13_11-21-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2igh/5Cg5QgjM/2025-01-13_11-21-57/2igh.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 397.23}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 397.23 }, "water": "amber14/tip3pfb.xml" }	-4428.7280	2025-01-13 12:06:22	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EEvdk6d/2025-01-13_13-03-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EX5Lx7s/2025-01-13_13-03-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EPdShgZ/2025-01-13_13-03-38/nvt_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EhomZa6/2025-01-13_13-03-39/nvt_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5E4Sun3n/2025-01-13_13-03-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5H5wXPTT/2025-01-13_13-03-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EcDLbvR/2025-01-13_13-03-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5GR4rEwj/2025-01-13_13-03-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5DyitGMU/2025-01-13_13-03-40/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EEvdk6d/2025-01-13_13-03-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EX5Lx7s/2025-01-13_13-03-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EPdShgZ/2025-01-13_13-03-38/nvt_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EhomZa6/2025-01-13_13-03-39/nvt_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5E4Sun3n/2025-01-13_13-03-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5H5wXPTT/2025-01-13_13-03-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5EcDLbvR/2025-01-13_13-03-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5GR4rEwj/2025-01-13_13-03-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2igh/5Cg5QgjM/5DyitGMU/2025-01-13_13-03-40/md_0_1.cpt" ]
2263	500f7f1c-2678-4747-bfc7-39f38796f8e3	6g99	2025-01-13 11:20:50	2025-01-13 13:06:38	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn	['5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy'] [ "5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6g99/5CzFiYvB/2025-01-13_11-20-49/6g99.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6g99/5CzFiYvB/2025-01-13_11-20-49/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6g99/5CzFiYvB/2025-01-13_11-20-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6g99/5CzFiYvB/2025-01-13_11-20-49/6g99.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 208.39}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 208.39 }, "water": "amber14/tip3pfb.xml" }	-8060.7881	2025-01-13 12:20:25	600	4	1500	1.000000	5	[''] [ "" ]
2261	bb4a5125-70c8-4331-9d1c-ba468c944320	7lq8	2025-01-13 11:18:30	2025-01-13 13:13:27	1	Yes	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd	['5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz'] [ "5G6nGk3CyzUCkFiSBHcpV5zx3DKrZcfHCex7ES8w8dWP8Yhd", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5FHgDbX778gabkSecFDCToQ1JDKGya3McPqnp9Yeug6DHYAW", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq8/5FFApaS7/2025-01-13_11-18-29/7lq8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq8/5FFApaS7/2025-01-13_11-18-29/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq8/5FFApaS7/2025-01-13_11-18-29/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7lq8/5FFApaS7/2025-01-13_11-18-29/7lq8.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 231.13}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 231.13 }, "water": "amber14/tip3pfb.xml" }	-25051.0449	2025-01-13 12:10:33	600	4	1500	1.000000	5	[''] [ "" ]