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
4194	1abc727d-01ce-4293-8ca5-7d922dd11721	2k9i	2025-01-16 08:15:34	2025-01-16 10:16:49	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF	['5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc'] [ "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5D4kFUfnrzXVX2Kau4ynwaaUbyAzDysENZWoQWK16fvUX8HF", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5HoxoJ755WwMbRzCWggz9DbVZoJzzFGQNdLSQHzJw9acZPHc" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k9i/5FFApaS7/2025-01-16_08-15-33/2k9i.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k9i/5FFApaS7/2025-01-16_08-15-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k9i/5FFApaS7/2025-01-16_08-15-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2k9i/5FFApaS7/2025-01-16_08-15-33/2k9i.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 246.24}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 246.24 }, "water": "charmm36/water.xml" }	-8541.7061	2025-01-16 09:17:43	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5H5wXPTT/2025-01-16_10-16-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5G9vwUF5/2025-01-16_10-16-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5DUBJXqH/2025-01-16_10-16-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5EsKXx7M/2025-01-16_10-16-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5D4kFUfn/2025-01-16_10-17-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5DXvZ6kW/2025-01-16_10-17-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5HoxoJ75/2025-01-16_10-17-00/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5H5wXPTT/2025-01-16_10-16-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5G9vwUF5/2025-01-16_10-16-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5DUBJXqH/2025-01-16_10-16-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5EsKXx7M/2025-01-16_10-16-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5D4kFUfn/2025-01-16_10-17-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5DXvZ6kW/2025-01-16_10-17-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2k9i/5FFApaS7/5HoxoJ75/2025-01-16_10-17-00/md_0_1_old.cpt" ]
4193	c8367383-86de-43fa-985d-780a95198bc9	2myd	2025-01-16 08:15:03	2025-01-16 10:07:56	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2	['5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a'] [ "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5HpCxvH5AprkYeGJar6YpevmNwPpynZJ1cnxT7BoJDoDYiqu", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2myd/5F2CsUDV/2025-01-16_08-15-01/2myd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2myd/5F2CsUDV/2025-01-16_08-15-01/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2myd/5F2CsUDV/2025-01-16_08-15-01/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2myd/5F2CsUDV/2025-01-16_08-15-01/2myd.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 231.24}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.01, "temperature": 231.24 }, "water": "charmm36/water.xml" }	-9203.1309	2025-01-16 09:09:43	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5EsKXx7M/2025-01-16_10-08-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5Gbc1Dzo/2025-01-16_10-08-05/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5ENVJyUM/2025-01-16_10-08-05/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5ESEfcCx/2025-01-16_10-08-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5Eq9hKu9/2025-01-16_10-08-06/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5Eo36DdG/2025-01-16_10-08-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5GutyMJ2/2025-01-16_10-08-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5GNfrcEs/2025-01-16_10-08-07/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5HpCxvH5/2025-01-16_10-08-08/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5HmPbPUa/2025-01-16_10-08-08/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5EsKXx7M/2025-01-16_10-08-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5Gbc1Dzo/2025-01-16_10-08-05/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5ENVJyUM/2025-01-16_10-08-05/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5ESEfcCx/2025-01-16_10-08-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5Eq9hKu9/2025-01-16_10-08-06/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5Eo36DdG/2025-01-16_10-08-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5GutyMJ2/2025-01-16_10-08-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5GNfrcEs/2025-01-16_10-08-07/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5HpCxvH5/2025-01-16_10-08-08/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2myd/5F2CsUDV/5HmPbPUa/2025-01-16_10-08-08/md_0_1.cpt" ]
4192	62b0f147-f82e-4774-85f6-0f415c1d6b42	1pob	2025-01-16 08:14:53	2025-01-16 09:50:05	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz	['5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ', '5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y'] [ "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5HYk8DMK/2025-01-16_08-14-52/1pob.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5HYk8DMK/2025-01-16_08-14-52/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5HYk8DMK/2025-01-16_08-14-52/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pob/5HYk8DMK/2025-01-16_08-14-52/1pob.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 365.38}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 365.38 }, "water": "amber14/tip3pfb.xml" }	-18818.4512	2025-01-16 08:59:04	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5CAz8emp/2025-01-16_09-50-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5CaUeYYY/2025-01-16_09-50-11/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5EnT7oy4/2025-01-16_09-50-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5EhxUCpu/2025-01-16_09-50-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5CaPMXwr/2025-01-16_09-50-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5Dka3Vh6/2025-01-16_09-50-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5HjoEydZ/2025-01-16_09-50-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5EDE2v2f/2025-01-16_09-50-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5HU3t5Nc/2025-01-16_09-50-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5FNEiDZG/2025-01-16_09-50-13/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5CAz8emp/2025-01-16_09-50-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5CaUeYYY/2025-01-16_09-50-11/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5EnT7oy4/2025-01-16_09-50-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5EhxUCpu/2025-01-16_09-50-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5CaPMXwr/2025-01-16_09-50-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5Dka3Vh6/2025-01-16_09-50-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5HjoEydZ/2025-01-16_09-50-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5EDE2v2f/2025-01-16_09-50-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5HU3t5Nc/2025-01-16_09-50-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pob/5HYk8DMK/5FNEiDZG/2025-01-16_09-50-13/md_0_1.cpt" ]
4191	10b363e4-d768-46fc-9136-3768d3b9ebc7	5eld	2025-01-16 08:14:40	2025-01-16 10:14:12	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF	['5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt', '5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp'] [ "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5eld/5GKH9FPP/2025-01-16_08-14-38/5eld.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5eld/5GKH9FPP/2025-01-16_08-14-38/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5eld/5GKH9FPP/2025-01-16_08-14-38/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5eld/5GKH9FPP/2025-01-16_08-14-38/5eld.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 340.77}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 340.77 }, "water": "charmm36/water.xml" }	-24981.2227	2025-01-16 09:21:01	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5EnT7oy4/2025-01-16_10-14-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5HmPbPUa/2025-01-16_10-14-22/nvt.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5H1W8b4q/2025-01-16_10-14-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5FeeZzWZ/2025-01-16_10-14-23/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5HmiiHdA/2025-01-16_10-14-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5D5K1TRy/2025-01-16_10-14-25/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5GutyMJ2/2025-01-16_10-14-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5FHTS8rc/2025-01-16_10-14-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5DST8S6N/2025-01-16_10-14-26/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5EnT7oy4/2025-01-16_10-14-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5HmPbPUa/2025-01-16_10-14-22/nvt.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5H1W8b4q/2025-01-16_10-14-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5FeeZzWZ/2025-01-16_10-14-23/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5HmiiHdA/2025-01-16_10-14-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5D5K1TRy/2025-01-16_10-14-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5GutyMJ2/2025-01-16_10-14-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5FHTS8rc/2025-01-16_10-14-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5eld/5GKH9FPP/5DST8S6N/2025-01-16_10-14-26/md_0_1.cpt" ]
4190	76ee764d-d7c5-494e-a4ee-2dd53fcd0294	3wxq	2025-01-16 08:12:54	2025-01-16 10:15:12	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF	['5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy', '5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn'] [ "5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5D5K1TRymCUgw5apCTgnSVyoUuV9mA9tR3JDRMsqkvn7LbJB", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy", "5HjoEydZELnCWzgfDvoY3QyXxNt4hBnxFykHHn4V3kmpP1DJ", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3wxq/5FFApaS7/2025-01-16_08-12-53/3wxq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3wxq/5FFApaS7/2025-01-16_08-12-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3wxq/5FFApaS7/2025-01-16_08-12-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3wxq/5FFApaS7/2025-01-16_08-12-53/3wxq.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 372.92}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 372.92 }, "water": "charmm36/water.xml" }	-7495.4043	2025-01-16 09:15:44	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5GhHYpa2/2025-01-16_10-15-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5EsKitVx/2025-01-16_10-15-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5ELgovom/2025-01-16_10-15-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5DcKLuwD/2025-01-16_10-15-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5D5K1TRy/2025-01-16_10-15-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5G9K3aZm/2025-01-16_10-15-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5HjoEydZ/2025-01-16_10-15-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5DPprcfa/2025-01-16_10-15-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5CD6SYMs/2025-01-16_10-15-20/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5GhHYpa2/2025-01-16_10-15-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5EsKitVx/2025-01-16_10-15-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5ELgovom/2025-01-16_10-15-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5DcKLuwD/2025-01-16_10-15-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5D5K1TRy/2025-01-16_10-15-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5G9K3aZm/2025-01-16_10-15-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5HjoEydZ/2025-01-16_10-15-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5DPprcfa/2025-01-16_10-15-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3wxq/5FFApaS7/5CD6SYMs/2025-01-16_10-15-20/md_0_1.cpt" ]
4189	303acbc5-44e6-4ee8-9bba-af206920dda9	1nzf	2025-01-16 08:12:30	2025-01-16 10:10:27	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex	['5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX'] [ "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nzf/5GKH9FPP/2025-01-16_08-10-53/1nzf.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nzf/5GKH9FPP/2025-01-16_08-10-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nzf/5GKH9FPP/2025-01-16_08-10-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nzf/5GKH9FPP/2025-01-16_08-10-53/1nzf.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 253.52}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 253.52 }, "water": "amber14/tip3pfb.xml" }	-32225.2832	2025-01-16 08:56:22	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5DhNncUE/2025-01-16_10-10-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5HKMcnD5/2025-01-16_10-10-37/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5D8KgSsG/2025-01-16_10-10-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5Ca47zJP/2025-01-16_10-10-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5HawdYry/2025-01-16_10-10-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5HTmcwCy/2025-01-16_10-10-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5Dce7pxY/2025-01-16_10-10-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5EhomZa6/2025-01-16_10-10-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5D2utUte/2025-01-16_10-10-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5H3NbTt2/2025-01-16_10-10-49/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5DhNncUE/2025-01-16_10-10-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5HKMcnD5/2025-01-16_10-10-37/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5D8KgSsG/2025-01-16_10-10-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5Ca47zJP/2025-01-16_10-10-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5HawdYry/2025-01-16_10-10-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5HTmcwCy/2025-01-16_10-10-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5Dce7pxY/2025-01-16_10-10-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5EhomZa6/2025-01-16_10-10-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5D2utUte/2025-01-16_10-10-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nzf/5GKH9FPP/5H3NbTt2/2025-01-16_10-10-49/md_0_1_old.cpt" ]
4187	bb26c1a1-75f3-4c49-8c16-333ba3fba507	6di4	2025-01-16 08:08:44	2025-01-16 10:08:21	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1	['5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ'] [ "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5GNfrcEscktMhhVVCQ3nLXZvrKhAiRiyK4QiJjinZ5dKRsRk", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6di4/5GKH9FPP/2025-01-16_08-06-27/6di4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6di4/5GKH9FPP/2025-01-16_08-06-27/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6di4/5GKH9FPP/2025-01-16_08-06-27/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6di4/5GKH9FPP/2025-01-16_08-06-27/6di4.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.08, 'temperature': 303.22}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.08, "temperature": 303.22 }, "water": "charmm36/water.xml" }	-13899.9912	2025-01-16 09:42:09	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5HpDuDJb/2025-01-16_10-08-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5EbgU56i/2025-01-16_10-08-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5DhPQXgo/2025-01-16_10-08-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5GNfrcEs/2025-01-16_10-08-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5H5wXPTT/2025-01-16_10-08-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5EhxUCpu/2025-01-16_10-08-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5Gxq2tRq/2025-01-16_10-08-46/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5GehSP5B/2025-01-16_10-08-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5Gy8GULq/2025-01-16_10-08-46/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5HpDuDJb/2025-01-16_10-08-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5EbgU56i/2025-01-16_10-08-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5DhPQXgo/2025-01-16_10-08-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5GNfrcEs/2025-01-16_10-08-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5H5wXPTT/2025-01-16_10-08-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5EhxUCpu/2025-01-16_10-08-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5Gxq2tRq/2025-01-16_10-08-46/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5GehSP5B/2025-01-16_10-08-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6di4/5GKH9FPP/5Gy8GULq/2025-01-16_10-08-46/md_0_1.cpt" ]
4186	84ef3166-7476-42e0-9c99-a4f54d95a28a	8hsm	2025-01-16 08:05:55	2025-01-16 09:25:20	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2	['5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU'] [ "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hsm/5Cg5QgjM/2025-01-16_08-05-53/8hsm.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hsm/5Cg5QgjM/2025-01-16_08-05-53/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hsm/5Cg5QgjM/2025-01-16_08-05-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8hsm/5Cg5QgjM/2025-01-16_08-05-53/8hsm.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 338.74}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 338.74 }, "water": "amber14/tip3pfb.xml" }	-35687.4648	2025-01-16 08:41:21	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5Ey8VdnS/2025-01-16_09-25-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5HN5q9Fa/2025-01-16_09-25-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5Dyv2T3R/2025-01-16_09-25-32/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5HHGSKLz/2025-01-16_09-25-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5HdtUhXT/2025-01-16_09-25-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5DPprcfa/2025-01-16_09-25-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5DndzPQR/2025-01-16_09-25-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5GeHm4rw/2025-01-16_09-25-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5ENZdoRq/2025-01-16_09-25-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5DX42tfe/2025-01-16_09-25-55/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5Ey8VdnS/2025-01-16_09-25-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5HN5q9Fa/2025-01-16_09-25-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5Dyv2T3R/2025-01-16_09-25-32/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5HHGSKLz/2025-01-16_09-25-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5HdtUhXT/2025-01-16_09-25-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5DPprcfa/2025-01-16_09-25-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5DndzPQR/2025-01-16_09-25-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5GeHm4rw/2025-01-16_09-25-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5ENZdoRq/2025-01-16_09-25-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8hsm/5Cg5QgjM/5DX42tfe/2025-01-16_09-25-55/md_0_1.cpt" ]
4184	e1f96887-48f2-493e-9a61-a572c629d748	3t86	2025-01-16 08:04:44	2025-01-16 09:23:59	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm	['5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5H97y1WuiSZAeb2vLpmj4SsU5xMZfeEnBcKQZrc3BTJuiJye', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss'] [ "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5H97y1WuiSZAeb2vLpmj4SsU5xMZfeEnBcKQZrc3BTJuiJye", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t86/5Cg5QgjM/2025-01-16_08-04-42/3t86.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t86/5Cg5QgjM/2025-01-16_08-04-42/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t86/5Cg5QgjM/2025-01-16_08-04-42/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3t86/5Cg5QgjM/2025-01-16_08-04-42/3t86.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 364.91}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 364.91 }, "water": "amber14/tip3pfb.xml" }	-1837.2139	2025-01-16 08:39:57	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5CULginL/2025-01-16_09-24-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5GehSP5B/2025-01-16_09-24-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5CkzwPiq/2025-01-16_09-24-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5H97y1Wu/2025-01-16_09-24-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5Fuos1nD/2025-01-16_09-24-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5EhomZa6/2025-01-16_09-24-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5CRrGY7J/2025-01-16_09-24-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5GxgkVRW/2025-01-16_09-24-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5H3uS2zM/2025-01-16_09-24-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5FkBB721/2025-01-16_09-24-20/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5CULginL/2025-01-16_09-24-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5GehSP5B/2025-01-16_09-24-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5CkzwPiq/2025-01-16_09-24-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5H97y1Wu/2025-01-16_09-24-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5Fuos1nD/2025-01-16_09-24-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5EhomZa6/2025-01-16_09-24-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5CRrGY7J/2025-01-16_09-24-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5GxgkVRW/2025-01-16_09-24-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5H3uS2zM/2025-01-16_09-24-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3t86/5Cg5QgjM/5FkBB721/2025-01-16_09-24-20/md_0_1.cpt" ]
4183	eb5212b5-5c8c-4671-94a1-aa78bac04f06	1r9q	2025-01-16 08:04:35	2025-01-16 09:19:18	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo	['5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3', '5G1TASN6fYbo2yD29vriXxvVnAAGvGwhdecvCA9ek4r43jV1', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC'] [ "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5GjSmYTjLtCeZp73uMC94SG22NSz8Lbqdk3LifBjRQhKQqr3", "5G1TASN6fYbo2yD29vriXxvVnAAGvGwhdecvCA9ek4r43jV1", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9q/5CzFiYvB/2025-01-16_08-04-33/1r9q.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9q/5CzFiYvB/2025-01-16_08-04-33/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9q/5CzFiYvB/2025-01-16_08-04-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1r9q/5CzFiYvB/2025-01-16_08-04-33/1r9q.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 259.83}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 259.83 }, "water": "amber14/tip3pfb.xml" }	-21369.7188	2025-01-16 08:47:11	600	6	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5EEvdk6d/2025-01-16_09-19-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5GjSmYTj/2025-01-16_09-19-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5G1TASN6/2025-01-16_09-19-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5GxgkVRW/2025-01-16_09-19-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5CkkTeB4/2025-01-16_09-19-25/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5EEvdk6d/2025-01-16_09-19-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5GjSmYTj/2025-01-16_09-19-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5G1TASN6/2025-01-16_09-19-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5GxgkVRW/2025-01-16_09-19-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1r9q/5CzFiYvB/5CkkTeB4/2025-01-16_09-19-25/md_0_1.cpt" ]
4182	7ca5b1cf-a107-47c2-bb90-ee98d35db94d	2nv3	2025-01-16 08:03:08	2025-01-16 09:08:51	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg	['5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2'] [ "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5CzFiYvB/2025-01-16_08-03-07/2nv3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5CzFiYvB/2025-01-16_08-03-07/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5CzFiYvB/2025-01-16_08-03-07/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2nv3/5CzFiYvB/2025-01-16_08-03-07/2nv3.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 206.49}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.09, "temperature": 206.49 }, "water": "amber14/tip3pfb.xml" }	-16394.4883	2025-01-16 08:31:51	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5GrzLRi3/2025-01-16_09-08-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5EcDLbvR/2025-01-16_09-08-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5Fv5nUTQ/2025-01-16_09-08-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5DhhnQF1/2025-01-16_09-08-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5H1PLX45/2025-01-16_09-08-58/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5GrzLRi3/2025-01-16_09-08-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5EcDLbvR/2025-01-16_09-08-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5Fv5nUTQ/2025-01-16_09-08-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5DhhnQF1/2025-01-16_09-08-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2nv3/5CzFiYvB/5H1PLX45/2025-01-16_09-08-58/md_0_1.cpt" ]
4181	a980b455-1a92-42f4-8ec2-7c74fea22512	237d	2025-01-16 08:03:01	2025-01-16 09:08:24	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR	['5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR', '5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5'] [ "5EX5Lx7sMZ8cTqo3ASaoo9TZ6nAo6SNAch2tQu4UpsYNLgF7", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237d/5CzFiYvB/2025-01-16_08-02-59/237d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237d/5CzFiYvB/2025-01-16_08-02-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237d/5CzFiYvB/2025-01-16_08-02-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237d/5CzFiYvB/2025-01-16_08-02-59/237d.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 354.94}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 354.94 }, "water": "amber14/tip3pfb.xml" }	-2019.5895	2025-01-16 08:31:31	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5EX5Lx7s/2025-01-16_09-08-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5H4BcoLo/2025-01-16_09-08-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5CcabLox/2025-01-16_09-08-30/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5FHTS8rc/2025-01-16_09-08-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5HTGnSe5/2025-01-16_09-08-31/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5EX5Lx7s/2025-01-16_09-08-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5H4BcoLo/2025-01-16_09-08-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5CcabLox/2025-01-16_09-08-30/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5FHTS8rc/2025-01-16_09-08-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237d/5CzFiYvB/5HTGnSe5/2025-01-16_09-08-31/md_0_1.cpt" ]
4180	ae130217-790b-47cb-92ec-d98be749f7f3	4lk8	2025-01-16 08:02:58	2025-01-16 10:04:15	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA	['5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA', '5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe'] [ "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA", "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lk8/5GKH9FPP/2025-01-16_08-02-56/4lk8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lk8/5GKH9FPP/2025-01-16_08-02-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lk8/5GKH9FPP/2025-01-16_08-02-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lk8/5GKH9FPP/2025-01-16_08-02-56/4lk8.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 222.77}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 222.77 }, "water": "charmm36/water.xml" }	-10997.1543	2025-01-16 09:38:08	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5DdAr5Uw/2025-01-16_10-04-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5ELgovom/2025-01-16_10-04-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HHActHD/2025-01-16_10-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5Dnu8Ats/2025-01-16_10-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5EycN1NE/2025-01-16_10-04-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HHGSKLz/2025-01-16_10-04-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5Eji3erb/2025-01-16_10-04-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HdfzvTF/2025-01-16_10-04-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5EUoy59V/2025-01-16_10-04-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HQV4JrB/2025-01-16_10-04-28/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5DdAr5Uw/2025-01-16_10-04-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5ELgovom/2025-01-16_10-04-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HHActHD/2025-01-16_10-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5Dnu8Ats/2025-01-16_10-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5EycN1NE/2025-01-16_10-04-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HHGSKLz/2025-01-16_10-04-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5Eji3erb/2025-01-16_10-04-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HdfzvTF/2025-01-16_10-04-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5EUoy59V/2025-01-16_10-04-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4lk8/5GKH9FPP/5HQV4JrB/2025-01-16_10-04-28/md_0_1_old.cpt" ]
4153	90a92f4b-63f2-4ef8-b99c-3a0b4229f68a	6xnw	2025-01-16 08:01:44	2025-01-16 09:44:48	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6	['5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy'] [ "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5CAz8empmsDqTcNcuWPGKqyKJ5pov4pYrRCqtygU8pkLgJED", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xnw/5F4tQyWr/2025-01-16_08-01-43/6xnw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xnw/5F4tQyWr/2025-01-16_08-01-43/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xnw/5F4tQyWr/2025-01-16_08-01-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6xnw/5F4tQyWr/2025-01-16_08-01-43/6xnw.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 327.43}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 327.43 }, "water": "amber14/tip3pfb.xml" }	-35541.5977	2025-01-16 09:10:43	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5HYCRBVh/2025-01-16_09-44-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5FF48AEJ/2025-01-16_09-44-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5C7LuavG/2025-01-16_09-44-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5GR4rEwj/2025-01-16_09-44-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5GhHYpa2/2025-01-16_09-44-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5EhxUCpu/2025-01-16_09-44-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5DndzPQR/2025-01-16_09-44-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5CAz8emp/2025-01-16_09-44-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5DhPQXgo/2025-01-16_09-44-56/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5HYCRBVh/2025-01-16_09-44-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5FF48AEJ/2025-01-16_09-44-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5C7LuavG/2025-01-16_09-44-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5GR4rEwj/2025-01-16_09-44-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5GhHYpa2/2025-01-16_09-44-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5EhxUCpu/2025-01-16_09-44-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5DndzPQR/2025-01-16_09-44-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5CAz8emp/2025-01-16_09-44-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6xnw/5F4tQyWr/5DhPQXgo/2025-01-16_09-44-56/md_0_1.cpt" ]
4152	152cc62e-3637-4965-a3bf-ef872618de7e	4tx0	2025-01-16 08:01:37	2025-01-16 09:43:13	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF	['5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT', '5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk'] [ "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT", "5Fuos1nD8mceixQ6n69JjGeFudvdhuu2RheQeJtxzBwo8JGm", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5GeFCh4zcGPmNMw63apyKKF2EWv1aDu5twXCWBKA8qT6JRaX", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4tx0/5F4tQyWr/2025-01-16_08-01-36/4tx0.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4tx0/5F4tQyWr/2025-01-16_08-01-36/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4tx0/5F4tQyWr/2025-01-16_08-01-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4tx0/5F4tQyWr/2025-01-16_08-01-36/4tx0.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 222.71}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 222.71 }, "water": "amber14/tip3pfb.xml" }	-10102.5469	2025-01-16 08:48:03	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5Eji3erb/2025-01-16_09-43-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5Fuos1nD/2025-01-16_09-43-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5EjRpczo/2025-01-16_09-43-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5GeFCh4z/2025-01-16_09-43-20/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5HYVRNRE/2025-01-16_09-43-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5H3uS2zM/2025-01-16_09-43-21/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5DJ6gt2p/2025-01-16_09-43-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5DXvZ6kW/2025-01-16_09-43-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5EcDLbvR/2025-01-16_09-43-21/md_0_1_old.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5Eji3erb/2025-01-16_09-43-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5Fuos1nD/2025-01-16_09-43-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5EjRpczo/2025-01-16_09-43-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5GeFCh4z/2025-01-16_09-43-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5HYVRNRE/2025-01-16_09-43-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5H3uS2zM/2025-01-16_09-43-21/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5DJ6gt2p/2025-01-16_09-43-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5DXvZ6kW/2025-01-16_09-43-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4tx0/5F4tQyWr/5EcDLbvR/2025-01-16_09-43-21/md_0_1_old.cpt" ]
4179	ae0815a0-be06-47bf-af82-1418e278bf2f	1ab6	2025-01-16 08:01:35	2025-01-16 09:07:20	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G	['5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29', '5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV'] [ "5Gxd4M3MfEEM8J5eJ6VVaiiSYkX98jFiBXsNswx8kfEiyR29", "5DdAr5UwntGeS4VJJGf3UZLXrMn27mJxqrhQ7WPTUQv6t8QA", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ab6/5CzFiYvB/2025-01-16_08-01-34/1ab6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ab6/5CzFiYvB/2025-01-16_08-01-34/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ab6/5CzFiYvB/2025-01-16_08-01-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ab6/5CzFiYvB/2025-01-16_08-01-34/1ab6.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.95, 'temperature': 326.37}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.95, "temperature": 326.37 }, "water": "amber14/tip3pfb.xml" }	-19308.0156	2025-01-16 08:30:35	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5DdAr5Uw/2025-01-16_09-07-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5EsKitVx/2025-01-16_09-07-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5HYCRBVh/2025-01-16_09-07-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5G6Xz3qd/2025-01-16_09-07-27/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5DdAr5Uw/2025-01-16_09-07-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5EsKitVx/2025-01-16_09-07-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5HYCRBVh/2025-01-16_09-07-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1ab6/5CzFiYvB/5G6Xz3qd/2025-01-16_09-07-27/md_0_1.cpt" ]
4178	324e55d7-10ea-447e-a7d3-c818348c47d7	7e0b	2025-01-16 08:01:13	2025-01-16 10:01:39	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb	['5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5', '5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4', '5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV'] [ "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5FcDSsb4icybs4gYbmdCdDW8iABdSJYkcYz4yS7j11YNspz5", "5GR4rEwjx4Mnpt6t4KNFb4iJcV7MMXxCxhyU46dCfTBLuxe6", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5HYficC7RnNWdqqo7cLToUyaWYsaf2KwkMEgZnfxaC1uRZH4", "5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7e0b/5GKH9FPP/2025-01-16_08-01-11/7e0b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7e0b/5GKH9FPP/2025-01-16_08-01-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7e0b/5GKH9FPP/2025-01-16_08-01-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7e0b/5GKH9FPP/2025-01-16_08-01-11/7e0b.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 371.22}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 371.22 }, "water": "amber14/tip3pfb.xml" }	-12981.1777	2025-01-16 08:50:30	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5FWYXGNx/2025-01-16_10-01-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5ExkyH3g/2025-01-16_10-01-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5CkzwPiq/2025-01-16_10-01-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5Cfkokas/2025-01-16_10-01-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5FcDSsb4/2025-01-16_10-01-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5GR4rEwj/2025-01-16_10-01-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5GNeDT2Z/2025-01-16_10-01-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5HYficC7/2025-01-16_10-01-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5FsanqbF/2025-01-16_10-01-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5Fv5nUTQ/2025-01-16_10-01-58/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5FWYXGNx/2025-01-16_10-01-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5ExkyH3g/2025-01-16_10-01-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5CkzwPiq/2025-01-16_10-01-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5Cfkokas/2025-01-16_10-01-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5FcDSsb4/2025-01-16_10-01-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5GR4rEwj/2025-01-16_10-01-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5GNeDT2Z/2025-01-16_10-01-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5HYficC7/2025-01-16_10-01-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5FsanqbF/2025-01-16_10-01-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7e0b/5GKH9FPP/5Fv5nUTQ/2025-01-16_10-01-58/md_0_1.cpt" ]
4151	3056a746-ffc8-4b4d-b9f2-d785f3c082ee	1pgw	2025-01-16 07:59:45	2025-01-16 10:00:48	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac	['5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a', '5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd'] [ "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5HmPbPUacBS1QFSZT5DJ8fL1TkqtW2c8hfStT8JV4BWAXa5a", "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5DXoR5ANhnnekjyWSgUCaqv7W88CvuswXVejVPM85wtgSosd" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pgw/5F4tQyWr/2025-01-16_07-59-43/1pgw.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pgw/5F4tQyWr/2025-01-16_07-59-43/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pgw/5F4tQyWr/2025-01-16_07-59-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1pgw/5F4tQyWr/2025-01-16_07-59-43/1pgw.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 370.85}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.94, "temperature": 370.85 }, "water": "charmm36/water.xml" }	-5405.2871	2025-01-16 09:26:13	600	6	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5HmPbPUa/2025-01-16_10-00-54/nvt.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5DsnAEMX/2025-01-16_10-00-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5DkonMmc/2025-01-16_10-00-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5EsKitVx/2025-01-16_10-00-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5Ey8VdnS/2025-01-16_10-00-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5EnT7oy4/2025-01-16_10-00-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5DXoR5AN/2025-01-16_10-00-56/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5HmPbPUa/2025-01-16_10-00-54/nvt.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5DsnAEMX/2025-01-16_10-00-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5DkonMmc/2025-01-16_10-00-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5EsKitVx/2025-01-16_10-00-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5Ey8VdnS/2025-01-16_10-00-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5EnT7oy4/2025-01-16_10-00-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1pgw/5F4tQyWr/5DXoR5AN/2025-01-16_10-00-56/md_0_1.cpt" ]
4150	85613cd4-7eaf-47b4-aff2-a06995c01b8b	8cw5	2025-01-16 07:56:49	2025-01-16 09:38:14	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf	['5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x'] [ "5Fjs97W5J3nJMboKGgFWj8DDmtgniGSi4L9fNa6fBo6YCJWf", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5FsanqbF4WsYxwpVr9k7n1QAC86kwiUYaseiZgBDCa7busUc", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cw5/5F4tQyWr/2025-01-16_07-56-47/8cw5.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cw5/5F4tQyWr/2025-01-16_07-56-47/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cw5/5F4tQyWr/2025-01-16_07-56-47/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/8cw5/5F4tQyWr/2025-01-16_07-56-47/8cw5.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 286.8}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 286.8 }, "water": "amber14/tip3pfb.xml" }	-13710.9043	2025-01-16 08:44:39	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5Fjs97W5/2025-01-16_09-38-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5GGb3rhZ/2025-01-16_09-38-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5FBis2fY/2025-01-16_09-38-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5FZEixsS/2025-01-16_09-38-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5EEvdk6d/2025-01-16_09-38-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5E4Eu5KB/2025-01-16_09-38-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5FsanqbF/2025-01-16_09-38-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5G9vwUF5/2025-01-16_09-38-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5HQV4JrB/2025-01-16_09-38-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5HN5q9Fa/2025-01-16_09-38-32/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5Fjs97W5/2025-01-16_09-38-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5GGb3rhZ/2025-01-16_09-38-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5FBis2fY/2025-01-16_09-38-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5FZEixsS/2025-01-16_09-38-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5EEvdk6d/2025-01-16_09-38-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5E4Eu5KB/2025-01-16_09-38-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5FsanqbF/2025-01-16_09-38-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5G9vwUF5/2025-01-16_09-38-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5HQV4JrB/2025-01-16_09-38-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/8cw5/5F4tQyWr/5HN5q9Fa/2025-01-16_09-38-32/md_0_1.cpt" ]
4149	1285fe7e-e863-42a5-9d36-2b89bb1eaa46	2m4g	2025-01-16 07:56:44	2025-01-16 09:37:04	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG	['5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA'] [ "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5DX8y4qK42uwRMz91S4zUcxP5NTWF7c7WyweRefPH7kc75UT", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m4g/5F4tQyWr/2025-01-16_07-56-43/2m4g.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m4g/5F4tQyWr/2025-01-16_07-56-43/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m4g/5F4tQyWr/2025-01-16_07-56-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m4g/5F4tQyWr/2025-01-16_07-56-43/2m4g.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 320.86}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 320.86 }, "water": "amber14/tip3pfb.xml" }	-14868.0352	2025-01-16 08:43:39	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5CaUeYYY/2025-01-16_09-37-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5GeHm4rw/2025-01-16_09-37-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5DAAjjm6/2025-01-16_09-37-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5H3NbTt2/2025-01-16_09-37-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5DX8y4qK/2025-01-16_09-37-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5Gxq2tRq/2025-01-16_09-37-18/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5EycN1NE/2025-01-16_09-37-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5FLh1jsy/2025-01-16_09-37-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5Ec4Vqsh/2025-01-16_09-37-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5ESEfcCx/2025-01-16_09-37-19/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5CaUeYYY/2025-01-16_09-37-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5GeHm4rw/2025-01-16_09-37-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5DAAjjm6/2025-01-16_09-37-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5H3NbTt2/2025-01-16_09-37-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5DX8y4qK/2025-01-16_09-37-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5Gxq2tRq/2025-01-16_09-37-18/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5EycN1NE/2025-01-16_09-37-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5FLh1jsy/2025-01-16_09-37-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5Ec4Vqsh/2025-01-16_09-37-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2m4g/5F4tQyWr/5ESEfcCx/2025-01-16_09-37-19/md_0_1.cpt" ]