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
1309 d1acc2c2-e10a-4791-a4a9-ff28582781de 1h94 2025-01-12 00:22:03 2025-01-12 02:11:22 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr
['5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH', '5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv']
[ "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5CZtKjxZKneMeLKyH1JN9jTiVo8qukUK82tBc7M5qTQ1BfhH", "5DV5sJdmPgJmAd8AnWxMSpvv2cFCJa1We8SwrF7A3HXbS722", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h94/5F2CsUDV/2025-01-12_00-22-01/1h94.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h94/5F2CsUDV/2025-01-12_00-22-01/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h94/5F2CsUDV/2025-01-12_00-22-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h94/5F2CsUDV/2025-01-12_00-22-01/1h94.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 235.03}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 235.03 }, "water": "amber14/tip3pfb.xml" }
 -36889.8984 2025-01-12 01:37:37 600 4 1500 1.000000 5
['']
[ "" ]
1308 333b277d-4bd3-4c24-9cd5-ff507b201923 8f37 2025-01-12 00:17:03 2025-01-12 02:04:01 1 Yes No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY
['5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz']
[ "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5CouGodv6q3XNZg7t5SPRyFfm5B2axYpaqPhkPsaoG7YqVRJ", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8f37/5HYk8DMK/2025-01-12_00-17-02/8f37.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8f37/5HYk8DMK/2025-01-12_00-17-02/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8f37/5HYk8DMK/2025-01-12_00-17-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8f37/5HYk8DMK/2025-01-12_00-17-02/8f37.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 300.28}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 300.28 }, "water": "charmm36/water.xml" }
 -8858.4590 2025-01-12 01:25:25 600 4 1500 1.000000 5
['']
[ "" ]
1307 d309a34b-c525-4e70-8f6d-1d1f32ed1d15 1uhp 2025-01-12 00:16:03 2025-01-12 03:26:53 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF
['5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT', '5EfCEd4onGE6ixqfg9jGbfrH4dHqQVyaxg1uSmqFBHwNK1HG', '5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5C7pPgRXscWh6CtE3etBHaypCyBkC4o5fcw89ZCMsaGjFoE1', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL']
[ "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT", "5EfCEd4onGE6ixqfg9jGbfrH4dHqQVyaxg1uSmqFBHwNK1HG", "5GP8bKZpjSLfpM3bghavbjkeyYEYVJUAYY4aeaWeQ4hDz3zd", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5C7pPgRXscWh6CtE3etBHaypCyBkC4o5fcw89ZCMsaGjFoE1", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uhp/5HEo565W/2025-01-12_00-16-03/1uhp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uhp/5HEo565W/2025-01-12_00-16-03/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uhp/5HEo565W/2025-01-12_00-16-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uhp/5HEo565W/2025-01-12_00-16-03/1uhp.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 209.95}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 209.95 }, "water": "amber14/tip3pfb.xml" }
 -11852.5049 2025-01-12 02:14:29 600 4 1500 1.000000 5
['']
[ "" ]
1306 deb0fa7e-17ff-40b8-8fb7-ffbbf27d9c29 1cku 2025-01-12 00:15:37 2025-01-12 02:09:50 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj
['5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP', '5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC']
[ "5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP", "5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5HgWY1dwvaB1hvZhbanm4njADf9RrT5wEpKuDba2RypX6pii", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cku/5F2CsUDV/2025-01-12_00-15-34/1cku.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cku/5F2CsUDV/2025-01-12_00-15-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cku/5F2CsUDV/2025-01-12_00-15-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1cku/5F2CsUDV/2025-01-12_00-15-34/1cku.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 278.6}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 278.6 }, "water": "amber14/tip3pfb.xml" }
 -13289.6621 2025-01-12 01:35:38 600 4 1500 1.000000 5
['']
[ "" ]
1304 e560a250-3e73-47e6-87d3-7360a88363da 3p5w 2025-01-12 00:11:53 2025-01-12 03:25:33 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK
['5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK', '5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez', '5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP', '5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5H1KPL1ybHobXtbhk2b3cYeFR3A3xfZnDRyuT5Sii181KizQ', '5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr']
[ "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK", "5H6J7uS1Yvd6LYE5NmBX5q9qbTXYhaMVso6dMANWozhxb6JS", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5CX1t6qKqSuf3UgDGQoqAUnrCCrKixYWaJwQwJNYRjVyHAez", "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP", "5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX", "5H1KPL1ybHobXtbhk2b3cYeFR3A3xfZnDRyuT5Sii181KizQ", "5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3p5w/5HEo565W/2025-01-12_00-11-52/3p5w.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3p5w/5HEo565W/2025-01-12_00-11-52/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3p5w/5HEo565W/2025-01-12_00-11-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3p5w/5HEo565W/2025-01-12_00-11-52/3p5w.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 342.76}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 342.76 }, "water": "amber14/tip3pfb.xml" }
 -13043.6543 2025-01-12 02:13:12 600 4 1500 1.000000 5
['']
[ "" ]
1303 ade84b9c-9f0b-4f25-a1df-b24967da1260 1zhc 2025-01-12 00:10:28 2025-01-12 02:09:09 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD
['5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD']
[ "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zhc/5F2CsUDV/2025-01-12_00-10-26/1zhc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zhc/5F2CsUDV/2025-01-12_00-10-26/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zhc/5F2CsUDV/2025-01-12_00-10-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zhc/5F2CsUDV/2025-01-12_00-10-26/1zhc.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 241.14}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.1, "temperature": 241.14 }, "water": "charmm36/water.xml" }
 -9031.9053 2025-01-12 01:34:42 600 4 1500 1.000000 5
['']
[ "" ]
1301 d5bdb09b-8b9c-4719-a70e-916b43543352 4do8 2025-01-12 00:08:46 2025-01-12 02:02:19 1 Yes No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5HbgRnCLP2D9J7uAhrZjJf6hfEmUAywN59Vu3WGKvaz5hYJB
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4do8/5HYk8DMK/2025-01-12_00-08-45/4do8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4do8/5HYk8DMK/2025-01-12_00-08-45/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4do8/5HYk8DMK/2025-01-12_00-08-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4do8/5HYk8DMK/2025-01-12_00-08-45/4do8.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 268.98}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 268.98 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8e3w/5Cg5QgjM/2025-01-12_00-05-48/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8e3w/5Cg5QgjM/2025-01-12_00-05-48/8e3w.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 343.41}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 343.41 }, "water": "charmm36/water.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n6v/5F2CsUDV/2025-01-12_00-05-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n6v/5F2CsUDV/2025-01-12_00-05-12/7n6v.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 317.74}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 317.74 }, "water": "amber14/tip3pfb.xml" }
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{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j82/5Cg5QgjM/2025-01-12_00-04-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3j82/5Cg5QgjM/2025-01-12_00-04-16/3j82.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 367.88}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 367.88 }, "water": "amber14/tip3pfb.xml" }
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1296 06e2fe5f-4e52-4c67-bf10-d367a9a99c8b 1zgw 2025-01-12 00:03:49 2025-01-12 03:23:46 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zgw/5HEo565W/2025-01-12_00-03-49/1zgw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zgw/5HEo565W/2025-01-12_00-03-49/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zgw/5HEo565W/2025-01-12_00-03-49/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1zgw/5HEo565W/2025-01-12_00-03-49/1zgw.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 230.81}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 230.81 }, "water": "amber14/tip3pfb.xml" }
 -30538.8926 2025-01-12 02:11:44 600 4 1500 1.000000 5
['']
[ "" ]
1295 1d30c1ed-9e2e-46bc-9ec5-ce900be8f726 4n4c 2025-01-11 23:58:47 2025-01-12 02:06:29 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n4c/5F2CsUDV/2025-01-11_23-58-44/4n4c.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n4c/5F2CsUDV/2025-01-11_23-58-44/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n4c/5F2CsUDV/2025-01-11_23-58-44/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n4c/5F2CsUDV/2025-01-11_23-58-44/4n4c.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 319.23}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 319.23 }, "water": "amber14/tip3pfb.xml" }
 -8959.1104 2025-01-12 01:31:39 600 4 1500 1.000000 5
['']
[ "" ]
1293 d10102b5-6d86-4f73-a717-ee8af6661c5b 2kgl 2025-01-11 23:57:55 2025-01-12 02:00:30 1 Yes No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kgl/5HYk8DMK/2025-01-11_23-57-54/2kgl.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kgl/5HYk8DMK/2025-01-11_23-57-54/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kgl/5HYk8DMK/2025-01-11_23-57-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kgl/5HYk8DMK/2025-01-11_23-57-54/2kgl.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 253.69}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 253.69 }, "water": "amber14/tip3pfb.xml" }
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['']
[ "" ]
1275 cce6fa62-a9d3-4122-b4e8-a4e7cbe64ba6 8hwp 2025-01-11 23:57:53 2025-01-12 01:26:17 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hwp/5F4tQyWr/2025-01-11_23-57-52/8hwp.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hwp/5F4tQyWr/2025-01-11_23-57-52/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hwp/5F4tQyWr/2025-01-11_23-57-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hwp/5F4tQyWr/2025-01-11_23-57-52/8hwp.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 206.42}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 206.42 }, "water": "charmm36/water.xml" }
 -17965.1582 2025-01-12 00:27:46 600 4 1500 1.000000 5
['']
[ "" ]
1273 2c3862f7-9258-40ab-926b-cf41218984ab 2lkq 2025-01-11 23:53:17 2025-01-12 01:24:38 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkq/5F4tQyWr/2025-01-11_23-53-16/2lkq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkq/5F4tQyWr/2025-01-11_23-53-16/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkq/5F4tQyWr/2025-01-11_23-53-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkq/5F4tQyWr/2025-01-11_23-53-16/2lkq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 357.92}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 357.92 }, "water": "amber14/tip3pfb.xml" }
 -2424.2256 2025-01-12 01:24:38 600 4 1500 1.000000 5
['']
[ "" ]
1292 5b3c7a16-a320-43e4-b3c6-06211f2a5c1f 1bnb 2025-01-11 23:53:06 2025-01-12 03:22:30 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bnb/5HEo565W/2025-01-11_23-53-06/1bnb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bnb/5HEo565W/2025-01-11_23-53-06/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bnb/5HEo565W/2025-01-11_23-53-06/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bnb/5HEo565W/2025-01-11_23-53-06/1bnb.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 350.8}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 350.8 }, "water": "charmm36/water.xml" }
 -603.9800 2025-01-12 02:10:30 600 4 1500 1.000000 5
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1290 e4c848d2-36fb-487c-bfa2-473a1578409a 1qd8 2025-01-11 23:48:55 2025-01-12 01:11:35 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qd8/5Cg5QgjM/2025-01-11_23-48-53/1qd8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qd8/5Cg5QgjM/2025-01-11_23-48-53/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qd8/5Cg5QgjM/2025-01-11_23-48-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1qd8/5Cg5QgjM/2025-01-11_23-48-53/1qd8.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 260.62}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 260.62 }, "water": "charmm36/water.xml" }
 -1335.8163 2025-01-12 00:23:15 600 5 1500 1.000000 5
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1289 0306ad12-cd5a-4e37-a108-a16a1912bc15 1ula 2025-01-11 23:47:41 2025-01-12 01:09:58 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ula/5Cg5QgjM/2025-01-11_23-47-39/1ula.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ula/5Cg5QgjM/2025-01-11_23-47-39/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ula/5Cg5QgjM/2025-01-11_23-47-39/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ula/5Cg5QgjM/2025-01-11_23-47-39/1ula.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 219.58}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 219.58 }, "water": "charmm36/water.xml" }
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1288 c2da5fc4-4986-409d-a044-ae4bab8ea386 1aar 2025-01-11 23:47:10 2025-01-12 01:32:23 1 Yes No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5FFApaS7/2025-01-11_23-47-09/1aar.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5FFApaS7/2025-01-11_23-47-09/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5FFApaS7/2025-01-11_23-47-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aar/5FFApaS7/2025-01-11_23-47-09/1aar.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 366.17}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 366.17 }, "water": "charmm36/water.xml" }
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1287 c1561531-6c39-4c81-8db8-04d6829068ba 151d 2025-01-11 23:45:54 2025-01-12 01:08:10 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/151d/5Cg5QgjM/2025-01-11_23-45-52/151d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/151d/5Cg5QgjM/2025-01-11_23-45-52/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/151d/5Cg5QgjM/2025-01-11_23-45-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/151d/5Cg5QgjM/2025-01-11_23-45-52/151d.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 357.36}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 357.36 }, "water": "amber14/tip3pfb.xml" }
 -2002.0522 2025-01-12 00:20:14 600 5 1500 1.000000 5
['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5CarftSX/2025-01-12_01-08-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5HjoEydZ/2025-01-12_01-08-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5CiGhHrn/2025-01-12_01-08-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5Dt44NJ1/2025-01-12_01-08-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5HTd9ESD/2025-01-12_01-08-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5DAAjjm6/2025-01-12_01-08-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5ExkyH3g/2025-01-12_01-08-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5EsKitVx/2025-01-12_01-08-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5DCKyeLF/2025-01-12_01-08-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5EfCEd4o/2025-01-12_01-08-20/md_0_1_old.cpt']
[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5CarftSX/2025-01-12_01-08-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5HjoEydZ/2025-01-12_01-08-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5CiGhHrn/2025-01-12_01-08-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5Dt44NJ1/2025-01-12_01-08-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5HTd9ESD/2025-01-12_01-08-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5DAAjjm6/2025-01-12_01-08-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5ExkyH3g/2025-01-12_01-08-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5EsKitVx/2025-01-12_01-08-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5DCKyeLF/2025-01-12_01-08-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/151d/5Cg5QgjM/5EfCEd4o/2025-01-12_01-08-20/md_0_1_old.cpt" ]
Showing items 14161 to 14180 of 15464 entries