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
3980	3a17ade7-8f2c-4f45-9237-46556132b390	5lq9	2025-01-16 02:38:58	2025-01-16 04:06:08	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx	['5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5Dt44NJ1LwB9JT9EibWo65wr2cp3hB4bbsMhayvQRz1paFt5', '5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA'] [ "5CQE5GHoHxMf2VyDi8wLrJj8SWT4JEA1BQuk9tDBsVu4RfWx", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5Dt44NJ1LwB9JT9EibWo65wr2cp3hB4bbsMhayvQRz1paFt5", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lq9/5CzFiYvB/2025-01-16_02-38-56/5lq9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lq9/5CzFiYvB/2025-01-16_02-38-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lq9/5CzFiYvB/2025-01-16_02-38-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5lq9/5CzFiYvB/2025-01-16_02-38-56/5lq9.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 350.49}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 350.49 }, "water": "amber14/tip3pfb.xml" }	-14052.0723	2025-01-16 03:25:44	600	4	1500	1.000000	5	[''] [ "" ]
3940	5c75f32e-40e9-40c9-a888-c73445c86f9a	3s8h	2025-01-16 02:35:19	2025-01-16 04:52:50	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t	['5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu', '5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj', '5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5HTd9ESD5MU4fdSmfzPK7YQF1ufcF4ni3Y38YcksCukFMWHt', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2'] [ "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu", "5GNeDT2ZCwzvBkkETuJMLVw4ircJtzGEpuQYHZZAj78JCukj", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5EUX8KuckrqwNgKsuzRPsADRkTZ8dHkXmjH1NWywVJdqC2fY", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5HTd9ESD5MU4fdSmfzPK7YQF1ufcF4ni3Y38YcksCukFMWHt", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3s8h/5F4tQyWr/2025-01-16_02-35-18/3s8h.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3s8h/5F4tQyWr/2025-01-16_02-35-18/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3s8h/5F4tQyWr/2025-01-16_02-35-18/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3s8h/5F4tQyWr/2025-01-16_02-35-18/3s8h.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 367.1}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 367.1 }, "water": "charmm36/water.xml" }	-25897.4121	2025-01-16 04:10:01	600	7	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5EkYTG9y/2025-01-16_04-52-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5DX9BKGS/2025-01-16_04-52-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5GNeDT2Z/2025-01-16_04-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5HYQvFSS/2025-01-16_04-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5EsKXx7M/2025-01-16_04-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5EUX8Kuc/2025-01-16_04-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5H3NbTt2/2025-01-16_04-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5FeeZzWZ/2025-01-16_04-52-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5HTd9ESD/2025-01-16_04-52-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5Gbc1Dzo/2025-01-16_04-52-59/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5EkYTG9y/2025-01-16_04-52-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5DX9BKGS/2025-01-16_04-52-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5GNeDT2Z/2025-01-16_04-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5HYQvFSS/2025-01-16_04-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5EsKXx7M/2025-01-16_04-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5EUX8Kuc/2025-01-16_04-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5H3NbTt2/2025-01-16_04-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5FeeZzWZ/2025-01-16_04-52-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5HTd9ESD/2025-01-16_04-52-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3s8h/5F4tQyWr/5Gbc1Dzo/2025-01-16_04-52-59/md_0_1.cpt" ]
3979	bae03639-02e6-4e41-ab2d-d8387c74bd22	1g8s	2025-01-16 02:34:39	2025-01-16 04:02:14	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S	['5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3', '5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ', '5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31'] [ "5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5GxjqYXtKR4TwWDbBAQ1sDhMbhTwvJKzXmEEVDooh3jbHAsJ", "5HdtUhXTwzK5JHpYDCY5JQ45j8WGKdN362zhUNTq4c6NUV96", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g8s/5F2CsUDV/2025-01-16_02-34-37/1g8s.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g8s/5F2CsUDV/2025-01-16_02-34-37/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g8s/5F2CsUDV/2025-01-16_02-34-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1g8s/5F2CsUDV/2025-01-16_02-34-37/1g8s.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 302.11}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 302.11 }, "water": "charmm36/water.xml" }	-14196.8408	2025-01-16 03:28:34	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5DX9BKGS/2025-01-16_04-02-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5H8rX8Zb/2025-01-16_04-02-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5CaPMXwr/2025-01-16_04-02-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5DUBJXqH/2025-01-16_04-02-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5DU7YwrR/2025-01-16_04-02-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5GxjqYXt/2025-01-16_04-02-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5HdtUhXT/2025-01-16_04-02-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5G9vwUF5/2025-01-16_04-02-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5HYkJT1S/2025-01-16_04-02-32/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5HYVRNRE/2025-01-16_04-02-32/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5DX9BKGS/2025-01-16_04-02-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5H8rX8Zb/2025-01-16_04-02-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5CaPMXwr/2025-01-16_04-02-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5DUBJXqH/2025-01-16_04-02-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5DU7YwrR/2025-01-16_04-02-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5GxjqYXt/2025-01-16_04-02-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5HdtUhXT/2025-01-16_04-02-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5G9vwUF5/2025-01-16_04-02-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5HYkJT1S/2025-01-16_04-02-32/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1g8s/5F2CsUDV/5HYVRNRE/2025-01-16_04-02-32/md_0_1.cpt" ]
3978	f83b1eab-f3af-4f5a-b594-be95588f6f50	3kpc	2025-01-16 02:34:05	2025-01-16 03:55:39	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE	['5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3', '5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe', '5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp'] [ "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5HQV4JrBBUY4feAERXTwsJH2q6yuyasVnre3rkfLyKLMqJFe", "5Grg3vXeEWet3aPFgQhwDYmevx9NcqZAHbeYAxFSnwVvSJYE", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpc/5Cg5QgjM/2025-01-16_02-34-03/3kpc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpc/5Cg5QgjM/2025-01-16_02-34-03/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpc/5Cg5QgjM/2025-01-16_02-34-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3kpc/5Cg5QgjM/2025-01-16_02-34-03/3kpc.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 386.78}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 386.78 }, "water": "charmm36/water.xml" }	-3675.1772	2025-01-16 03:11:22	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5H1W8b4q/2025-01-16_03-55-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5DUBJXqH/2025-01-16_03-55-47/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5H5wXPTT/2025-01-16_03-55-47/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5Ca47zJP/2025-01-16_03-55-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5DFuo6i7/2025-01-16_03-55-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5Gb5EGGA/2025-01-16_03-55-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5HdRGSwc/2025-01-16_03-55-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5HQV4JrB/2025-01-16_03-55-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5Grg3vXe/2025-01-16_03-55-49/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5HN4zGAv/2025-01-16_03-55-49/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5H1W8b4q/2025-01-16_03-55-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5DUBJXqH/2025-01-16_03-55-47/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5H5wXPTT/2025-01-16_03-55-47/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5Ca47zJP/2025-01-16_03-55-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5DFuo6i7/2025-01-16_03-55-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5Gb5EGGA/2025-01-16_03-55-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5HdRGSwc/2025-01-16_03-55-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5HQV4JrB/2025-01-16_03-55-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5Grg3vXe/2025-01-16_03-55-49/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3kpc/5Cg5QgjM/5HN4zGAv/2025-01-16_03-55-49/md_0_1.cpt" ]
3977	bdfe8a17-b86c-4fd0-8dc9-2288baa8d583	3b90	2025-01-16 02:33:39	2025-01-16 03:54:09	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y	['5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y', '5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT', '5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY', '5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH', '5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54', '5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp'] [ "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5EHLjg67Gke493hCPmyxQzHUE9R5HgiadxMR77F3x2Hx3onY", "5EUoy59VvtKPgBWQg79NHwziSCJCua1LsPB2y3XD1SWvigk8", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5G9vwUF5P4BqnWmbZMqh1S9EoSMSQJWU73zeLG9QTcFcn9PH", "5GxgkVRWeoWz5xX7virz8sjjM2wjL6GtJjJTxFiz2b5BZd54", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5DST8S6NYHkwizyqGwprhqgKPfngDGrimdiwaiybbN6eDvUp" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3b90/5Cg5QgjM/2025-01-16_02-33-37/3b90.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3b90/5Cg5QgjM/2025-01-16_02-33-37/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3b90/5Cg5QgjM/2025-01-16_02-33-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3b90/5Cg5QgjM/2025-01-16_02-33-37/3b90.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 376.85}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.0, "temperature": 376.85 }, "water": "amber14/tip3pfb.xml" }	-33323.3945	2025-01-16 03:09:52	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5FNEiDZG/2025-01-16_03-54-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5DUmNo3Q/2025-01-16_03-54-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5EHLjg67/2025-01-16_03-54-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5EUoy59V/2025-01-16_03-54-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5FRHk95S/2025-01-16_03-54-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5G9vwUF5/2025-01-16_03-54-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5GxgkVRW/2025-01-16_03-54-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5DhPQXgo/2025-01-16_03-54-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5Dka3Vh6/2025-01-16_03-54-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5DST8S6N/2025-01-16_03-54-36/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5FNEiDZG/2025-01-16_03-54-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5DUmNo3Q/2025-01-16_03-54-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5EHLjg67/2025-01-16_03-54-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5EUoy59V/2025-01-16_03-54-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5FRHk95S/2025-01-16_03-54-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5G9vwUF5/2025-01-16_03-54-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5GxgkVRW/2025-01-16_03-54-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5DhPQXgo/2025-01-16_03-54-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5Dka3Vh6/2025-01-16_03-54-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3b90/5Cg5QgjM/5DST8S6N/2025-01-16_03-54-36/md_0_1.cpt" ]
3976	3c962a2d-9447-4040-be58-fa6c14a5f195	6c41	2025-01-16 02:33:38	2025-01-16 04:05:46	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z	['5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3'] [ "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5FjT2qPtdCyNkAPnTrdmAovVCjd4DBBG4vdw7BVyEv3iTLp4", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5H8rX8ZbXutv4gY71se1TjjS4SqTSwkXmXco5ngGSUX5s7K3" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6c41/5CzFiYvB/2025-01-16_02-33-36/6c41.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6c41/5CzFiYvB/2025-01-16_02-33-36/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6c41/5CzFiYvB/2025-01-16_02-33-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6c41/5CzFiYvB/2025-01-16_02-33-36/6c41.pdb" }	{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'dodecahedron', 'water': 'amber14/opc.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 258.46}} { "box": "dodecahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.05, "temperature": 258.46 }, "water": "amber14/opc.xml" }	-1577.6996	2025-01-16 03:25:20	600	4	1500	1.000000	5	[''] [ "" ]
3975	114bdfe1-4efe-42c5-9ad4-9047905c069b	1nab	2025-01-16 02:32:27	2025-01-16 04:21:51	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227	['5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH'] [ "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5HYCRBVhXLchPbc3Zh1onF1V8B9F9f8kBMhaUkQaxUZcpE8G", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5DX9BKGSsD4p7R9PdgPCXDFneNsH8shjYJL8HJPmWbzUGvAu", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nab/5GKH9FPP/2025-01-16_02-32-25/1nab.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nab/5GKH9FPP/2025-01-16_02-32-25/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nab/5GKH9FPP/2025-01-16_02-32-25/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1nab/5GKH9FPP/2025-01-16_02-32-25/1nab.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 386.01}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 386.01 }, "water": "amber14/tip3pfb.xml" }	-3735.6345	2025-01-16 03:22:48	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5CoEdgdk/2025-01-16_04-21-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5HYCRBVh/2025-01-16_04-21-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5E4Eu5KB/2025-01-16_04-22-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5DX9BKGS/2025-01-16_04-22-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5Gurm68i/2025-01-16_04-22-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5HHActHD/2025-01-16_04-22-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5HMrjPv6/2025-01-16_04-22-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5H1W8b4q/2025-01-16_04-22-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5C4xDki7/2025-01-16_04-22-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5FvepbgL/2025-01-16_04-22-02/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5CoEdgdk/2025-01-16_04-21-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5HYCRBVh/2025-01-16_04-21-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5E4Eu5KB/2025-01-16_04-22-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5DX9BKGS/2025-01-16_04-22-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5Gurm68i/2025-01-16_04-22-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5HHActHD/2025-01-16_04-22-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5HMrjPv6/2025-01-16_04-22-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5H1W8b4q/2025-01-16_04-22-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5C4xDki7/2025-01-16_04-22-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1nab/5GKH9FPP/5FvepbgL/2025-01-16_04-22-02/md_0_1.cpt" ]
3938	791647ff-4dcd-4f4c-bddc-df871a9f848b	1l01	2025-01-16 02:32:11	2025-01-16 04:06:59	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox	['5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL', '5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk'] [ "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5CRrGY7JE8NSVQNmFp3fGHfFyLYgUbiQ4nGM8oSo2DtZxBNL", "5Hoy4hqepWbFTBhJAfg4ALkpCRctbSgR84JmUHowB1Nd9iBq", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5EcDLbvRg3nTDTLHdPKPR6W8mtgYG2fVmC69kDdiX5ZGrTsk" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l01/5F4tQyWr/2025-01-16_02-32-10/1l01.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l01/5F4tQyWr/2025-01-16_02-32-10/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l01/5F4tQyWr/2025-01-16_02-32-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1l01/5F4tQyWr/2025-01-16_02-32-10/1l01.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 360.27}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 360.27 }, "water": "charmm36/water.xml" }	-15851.6348	2025-01-16 03:31:00	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5DyitGMU/2025-01-16_04-07-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5CvYGBVf/2025-01-16_04-07-06/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5CRrGY7J/2025-01-16_04-07-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5Hoy4hqe/2025-01-16_04-07-10/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5GehSP5B/2025-01-16_04-07-12/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5HW712Ei/2025-01-16_04-07-12/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5G9K3aZm/2025-01-16_04-07-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5C8aeZq1/2025-01-16_04-07-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5FvepbgL/2025-01-16_04-07-13/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5EcDLbvR/2025-01-16_04-07-13/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5DyitGMU/2025-01-16_04-07-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5CvYGBVf/2025-01-16_04-07-06/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5CRrGY7J/2025-01-16_04-07-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5Hoy4hqe/2025-01-16_04-07-10/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5GehSP5B/2025-01-16_04-07-12/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5HW712Ei/2025-01-16_04-07-12/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5G9K3aZm/2025-01-16_04-07-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5C8aeZq1/2025-01-16_04-07-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5FvepbgL/2025-01-16_04-07-13/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1l01/5F4tQyWr/5EcDLbvR/2025-01-16_04-07-13/md_0_1.cpt" ]
3974	4cad3c7d-f0ea-440e-99f0-6ae4efdeb051	1x3o	2025-01-16 02:32:05	2025-01-16 03:52:49	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr	['5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP', '5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko', '5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg', '5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE', '5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV'] [ "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP", "5DRY6eG3WLTP7d8QarhkhT9Z7sN2fDnJBwtetQYVtF9Tb2Ko", "5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg", "5EyWAbu3eJG223hdk8Q7UkUp7qqMssUZ8pRzKLsqWTJd3VDE", "5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3o/5Cg5QgjM/2025-01-16_02-32-03/1x3o.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3o/5Cg5QgjM/2025-01-16_02-32-03/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3o/5Cg5QgjM/2025-01-16_02-32-03/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1x3o/5Cg5QgjM/2025-01-16_02-32-03/1x3o.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 207.1}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 207.1 }, "water": "amber14/tip3pfb.xml" }	-2811.9646	2025-01-16 03:08:39	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5EEvdk6d/2025-01-16_03-52-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Gy8GULq/2025-01-16_03-52-57/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5HpvMUZG/2025-01-16_03-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5DRY6eG3/2025-01-16_03-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Ev6WLo8/2025-01-16_03-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5HpDuDJb/2025-01-16_03-52-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Dyv2T3R/2025-01-16_03-52-59/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Gdn7dSR/2025-01-16_03-52-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5EyWAbu3/2025-01-16_03-52-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5G6Xz3qd/2025-01-16_03-53-00/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5EEvdk6d/2025-01-16_03-52-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Gy8GULq/2025-01-16_03-52-57/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5HpvMUZG/2025-01-16_03-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5DRY6eG3/2025-01-16_03-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Ev6WLo8/2025-01-16_03-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5HpDuDJb/2025-01-16_03-52-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Dyv2T3R/2025-01-16_03-52-59/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5Gdn7dSR/2025-01-16_03-52-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5EyWAbu3/2025-01-16_03-52-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1x3o/5Cg5QgjM/5G6Xz3qd/2025-01-16_03-53-00/md_0_1.cpt" ]
3973	3f416f46-af94-4f21-8464-3ddeea3f8658	4xna	2025-01-16 02:31:41	2025-01-16 04:36:47	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed	['5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa', '5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze', '5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy', '5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV'] [ "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa", "5ELgovomKweaxoYvo7DbKSJu8sXLiBi13i7DSLpnLyZa82ze", "5CvYGBVfQjao8MdSorGA1GeDdxTWkX6JSdKNHP5Zs5aJMwA2", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5G9K3aZm3iHvWDYqu91GfSgftSo7HUDisiMSU3muoHUUbHMy", "5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xna/5FFApaS7/2025-01-16_02-31-40/4xna.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xna/5FFApaS7/2025-01-16_02-31-40/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xna/5FFApaS7/2025-01-16_02-31-40/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4xna/5FFApaS7/2025-01-16_02-31-40/4xna.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 202.55}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 202.55 }, "water": "amber14/tip3pfb.xml" }	-78625.2969	2025-01-16 03:57:24	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5E4Sun3n/2025-01-16_04-36-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5HdFjgzv/2025-01-16_04-36-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5D2utUte/2025-01-16_04-36-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5HW712Ei/2025-01-16_04-36-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5ELgovom/2025-01-16_04-36-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5CvYGBVf/2025-01-16_04-36-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5H3uS2zM/2025-01-16_04-36-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5G9K3aZm/2025-01-16_04-36-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5G6Xz3qd/2025-01-16_04-36-56/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5E4Sun3n/2025-01-16_04-36-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5HdFjgzv/2025-01-16_04-36-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5D2utUte/2025-01-16_04-36-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5HW712Ei/2025-01-16_04-36-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5ELgovom/2025-01-16_04-36-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5CvYGBVf/2025-01-16_04-36-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5H3uS2zM/2025-01-16_04-36-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5G9K3aZm/2025-01-16_04-36-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4xna/5FFApaS7/5G6Xz3qd/2025-01-16_04-36-56/md_0_1.cpt" ]
3937	21c219e6-31aa-4c55-9ee9-1d6baf5b3b0f	2cqr	2025-01-16 02:30:38	2025-01-16 04:05:46	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s	['5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7', '5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s', '5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn', '5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG'] [ "5ELAucCJgvGgpguLZQA1VtfkUQuvZKmGaNAnzFn1wn3pwRH7", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqr/5F4tQyWr/2025-01-16_02-30-37/2cqr.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqr/5F4tQyWr/2025-01-16_02-30-37/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqr/5F4tQyWr/2025-01-16_02-30-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2cqr/5F4tQyWr/2025-01-16_02-30-37/2cqr.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 388.81}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.93, "temperature": 388.81 }, "water": "amber14/tip3pfb.xml" }	-7260.9487	2025-01-16 03:13:24	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5ELAucCJ/2025-01-16_04-05-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5DndzPQR/2025-01-16_04-05-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5CtCgQia/2025-01-16_04-05-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5GrmnoWJ/2025-01-16_04-05-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5Ey8VdnS/2025-01-16_04-05-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5HdRGSwc/2025-01-16_04-05-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5GBzJfFq/2025-01-16_04-05-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5ENZdoRq/2025-01-16_04-05-53/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5CoEdgdk/2025-01-16_04-05-53/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5ELAucCJ/2025-01-16_04-05-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5DndzPQR/2025-01-16_04-05-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5CtCgQia/2025-01-16_04-05-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5GrmnoWJ/2025-01-16_04-05-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5Ey8VdnS/2025-01-16_04-05-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5HdRGSwc/2025-01-16_04-05-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5GBzJfFq/2025-01-16_04-05-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5ENZdoRq/2025-01-16_04-05-53/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2cqr/5F4tQyWr/5CoEdgdk/2025-01-16_04-05-53/md_0_1.cpt" ]
3972	c0006fd4-5df5-463f-b8e6-07e26936aba7	4nvh	2025-01-16 02:29:33	2025-01-16 04:24:18	1	No	No	5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47	5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm	['5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k', '5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK'] [ "5HawdYryFSrwjtyDkgDiDmR1i5fG8qf2LW4gorkPVVYfzbNX", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5CtCgQia9ZZejqdRfmWrykjYxnjsV9MzUXy1dD4PArdmrm5k", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nvh/5HYk8DMK/2025-01-16_02-29-32/4nvh.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nvh/5HYk8DMK/2025-01-16_02-29-32/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nvh/5HYk8DMK/2025-01-16_02-29-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4nvh/5HYk8DMK/2025-01-16_02-29-32/4nvh.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 298.74}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 298.74 }, "water": "amber14/tip3pfb.xml" }	-23456.5273	2025-01-16 03:36:43	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5HawdYry/2025-01-16_04-24-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5EycN1NE/2025-01-16_04-24-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5G6mzcBY/2025-01-16_04-24-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5Cfkokas/2025-01-16_04-24-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5Hh4RLJA/2025-01-16_04-24-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5CkzwPiq/2025-01-16_04-24-26/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5Fv5nUTQ/2025-01-16_04-24-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5CtCgQia/2025-01-16_04-24-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5DAAjjm6/2025-01-16_04-24-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5FBis2fY/2025-01-16_04-24-27/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5HawdYry/2025-01-16_04-24-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5EycN1NE/2025-01-16_04-24-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5G6mzcBY/2025-01-16_04-24-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5Cfkokas/2025-01-16_04-24-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5Hh4RLJA/2025-01-16_04-24-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5CkzwPiq/2025-01-16_04-24-26/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5Fv5nUTQ/2025-01-16_04-24-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5CtCgQia/2025-01-16_04-24-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5DAAjjm6/2025-01-16_04-24-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4nvh/5HYk8DMK/5FBis2fY/2025-01-16_04-24-27/md_0_1.cpt" ]
3971	cd3eadeb-a160-4a4d-a134-dff562742e05	317d	2025-01-16 02:29:17	2025-01-16 03:59:29	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac	['5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac', '5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC', '5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c', '5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt', '5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT', '5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN'] [ "5DsnAEMXEJLPTJsxwf27EYpSBMuaCDK4Gidhdr4ysi7WtKac", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c", "5GBzJfFq9NUrX1pYqHuaqWsJ1kVBg2V3ucmhsFbPLD8Xf4wt", "5GpYkazmDYq3cHP3FtCkjYmL7yaZNWo21dJvnu1C23JZiKTc", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5D8KgSsGxdj3roUd83gQ4gNnEXrMXRMyeDvjD75WMksXcHpT", "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/317d/5F2CsUDV/2025-01-16_02-29-15/317d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/317d/5F2CsUDV/2025-01-16_02-29-15/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/317d/5F2CsUDV/2025-01-16_02-29-15/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/317d/5F2CsUDV/2025-01-16_02-29-15/317d.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 312.86}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 312.86 }, "water": "amber14/tip3pfb.xml" }	-2487.7241	2025-01-16 03:26:03	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5DsnAEMX/2025-01-16_03-59-36/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5EhxUCpu/2025-01-16_03-59-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5HNjFXXT/2025-01-16_03-59-39/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5GBzJfFq/2025-01-16_03-59-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5GpYkazm/2025-01-16_03-59-58/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5DFuo6i7/2025-01-16_04-00-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5H1PLX45/2025-01-16_04-00-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5HpDuDJb/2025-01-16_04-00-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5D8KgSsG/2025-01-16_04-00-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5HKMcnD5/2025-01-16_04-00-04/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5DsnAEMX/2025-01-16_03-59-36/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5EhxUCpu/2025-01-16_03-59-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5HNjFXXT/2025-01-16_03-59-39/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5GBzJfFq/2025-01-16_03-59-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5GpYkazm/2025-01-16_03-59-58/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5DFuo6i7/2025-01-16_04-00-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5H1PLX45/2025-01-16_04-00-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5HpDuDJb/2025-01-16_04-00-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5D8KgSsG/2025-01-16_04-00-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/317d/5F2CsUDV/5HKMcnD5/2025-01-16_04-00-04/md_0_1_old.cpt" ]
3970	a9fd2dfc-88d5-45c6-8648-a32f75e38f1f	6fzd	2025-01-16 02:29:13	2025-01-16 03:58:44	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2	['5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK', '5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2', '5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te', '5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE', '5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s'] [ "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5FBis2fYnkuwSrfa74WvQjury2E2nxrLpxYUm1y8BRyJpezK", "5HmiiHdAXP7Siz5PnTjXpKMnye6x4NNR4FB2hVbmR6aHshqn", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5Dyv2T3R3KkbNtjRh9ZydDVTBE96yvQVkcUBVTuoFYHWwdB2", "5Dka3Vh6KzR7qTNwXBG3CtBA8aR9epKGiTo8eJsfRqSLv6Te", "5CULginLQWVKiWkzL6PAmLntTQn8aCFag1SWx4WLcHxPYwXE", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fzd/5F2CsUDV/2025-01-16_02-29-11/6fzd.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fzd/5F2CsUDV/2025-01-16_02-29-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fzd/5F2CsUDV/2025-01-16_02-29-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6fzd/5F2CsUDV/2025-01-16_02-29-11/6fzd.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 206.33}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 206.33 }, "water": "amber14/tip3pfb.xml" }	-42965.2461	2025-01-16 03:08:15	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5E7u7wM5/2025-01-16_03-58-51/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5FRHk95S/2025-01-16_03-58-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5FBis2fY/2025-01-16_03-58-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5HmiiHdA/2025-01-16_03-58-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5HMrjPv6/2025-01-16_03-58-56/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5Dyv2T3R/2025-01-16_03-58-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5Dka3Vh6/2025-01-16_03-59-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5CULginL/2025-01-16_03-59-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5EkYTG9y/2025-01-16_03-59-03/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5GrmnoWJ/2025-01-16_03-59-06/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5E7u7wM5/2025-01-16_03-58-51/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5FRHk95S/2025-01-16_03-58-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5FBis2fY/2025-01-16_03-58-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5HmiiHdA/2025-01-16_03-58-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5HMrjPv6/2025-01-16_03-58-56/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5Dyv2T3R/2025-01-16_03-58-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5Dka3Vh6/2025-01-16_03-59-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5CULginL/2025-01-16_03-59-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5EkYTG9y/2025-01-16_03-59-03/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6fzd/5F2CsUDV/5GrmnoWJ/2025-01-16_03-59-06/md_0_1.cpt" ]
3969	b24ce73b-b251-4021-bc0f-2c4105d9738a	6j12	2025-01-16 02:28:06	2025-01-16 03:57:20	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM	['5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF', '5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi', '5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK', '5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM', '5C7pPgRXscWh6CtE3etBHaypCyBkC4o5fcw89ZCMsaGjFoE1', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1'] [ "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5DXvZ6kWJkErUTjJUapnWVLA3rqBz7nivTngsdLfHqfntPhF", "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5HTmcwCyiiPL9cU1d9b4vbi1Bjntshmu83ubKbVwemcMsygi", "5GpLy7r1BpBhr4rVvwnzQnBYjnTy9WakXcduBS37Z2E5xjzK", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5C7pPgRXscWh6CtE3etBHaypCyBkC4o5fcw89ZCMsaGjFoE1", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6j12/5F2CsUDV/2025-01-16_02-28-02/6j12.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6j12/5F2CsUDV/2025-01-16_02-28-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6j12/5F2CsUDV/2025-01-16_02-28-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6j12/5F2CsUDV/2025-01-16_02-28-02/6j12.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 242.33}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 242.33 }, "water": "charmm36/water.xml" }	-3362.2471	2025-01-16 03:06:55	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5EjRpczo/2025-01-16_03-57-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5DXvZ6kW/2025-01-16_03-57-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5EEvdk6d/2025-01-16_03-57-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5HdfzvTF/2025-01-16_03-57-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5Gb5EGGA/2025-01-16_03-57-30/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5HTmcwCy/2025-01-16_03-57-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5GpLy7r1/2025-01-16_03-57-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5H4BcoLo/2025-01-16_03-57-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5C7pPgRX/2025-01-16_03-57-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5DPprcfa/2025-01-16_03-57-32/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5EjRpczo/2025-01-16_03-57-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5DXvZ6kW/2025-01-16_03-57-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5EEvdk6d/2025-01-16_03-57-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5HdfzvTF/2025-01-16_03-57-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5Gb5EGGA/2025-01-16_03-57-30/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5HTmcwCy/2025-01-16_03-57-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5GpLy7r1/2025-01-16_03-57-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5H4BcoLo/2025-01-16_03-57-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5C7pPgRX/2025-01-16_03-57-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6j12/5F2CsUDV/5DPprcfa/2025-01-16_03-57-32/md_0_1.cpt" ]
3968	0bcda5d8-a125-40d5-a385-811cc8eb00b5	2onv	2025-01-16 02:27:27	2025-01-16 04:05:30	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49	['5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x', '5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og', '5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv'] [ "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5Ev6WLo8xdHh4yTdQSDomEw9Si5Jpt28sPdcB2P2pyJJZznv" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2onv/5CzFiYvB/2025-01-16_02-27-26/2onv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2onv/5CzFiYvB/2025-01-16_02-27-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2onv/5CzFiYvB/2025-01-16_02-27-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2onv/5CzFiYvB/2025-01-16_02-27-26/2onv.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 254.01}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.96, "temperature": 254.01 }, "water": "amber14/tip3pfb.xml" }	-564.8221	2025-01-16 03:25:05	600	4	1500	1.000000	5	[''] [ "" ]
3966	203ec788-3452-4897-af5a-8bd47feeee7b	7uv2	2025-01-16 02:26:04	2025-01-16 03:55:52	1	No	No	5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ	5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM	['5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa'] [ "5DX42tfeZbu5yFXuP6kojA8NNj3toVbabYPWQGP3tEvk8adU", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5HTGnSe51ciZ4dUy3QrmHaxYg7tFhUcWVWcqugaeRB15Mdq5", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5EhomZa6xWeevx9qnvCuf9BnfNoL3UAfh7tgWUBPWwPqXy5w", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5HW712Ei9zfTxZ8hDAgdfBFCh19JNAaCN5ruuVd61PDA1nRa" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7uv2/5F2CsUDV/2025-01-16_02-26-02/7uv2.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7uv2/5F2CsUDV/2025-01-16_02-26-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7uv2/5F2CsUDV/2025-01-16_02-26-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7uv2/5F2CsUDV/2025-01-16_02-26-02/7uv2.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 335.35}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 335.35 }, "water": "amber14/tip3pfb.xml" }	-9670.6719	2025-01-16 03:05:36	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5DX42tfe/2025-01-16_03-55-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5Ec4Vqsh/2025-01-16_03-56-00/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5Eq9hKu9/2025-01-16_03-56-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5HTGnSe5/2025-01-16_03-56-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5FeeZzWZ/2025-01-16_03-56-01/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5EhomZa6/2025-01-16_03-56-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5HWFxVD3/2025-01-16_03-56-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5GrzLRi3/2025-01-16_03-56-02/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5GGb3rhZ/2025-01-16_03-56-02/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5HW712Ei/2025-01-16_03-56-03/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5DX42tfe/2025-01-16_03-55-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5Ec4Vqsh/2025-01-16_03-56-00/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5Eq9hKu9/2025-01-16_03-56-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5HTGnSe5/2025-01-16_03-56-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5FeeZzWZ/2025-01-16_03-56-01/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5EhomZa6/2025-01-16_03-56-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5HWFxVD3/2025-01-16_03-56-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5GrzLRi3/2025-01-16_03-56-02/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5GGb3rhZ/2025-01-16_03-56-02/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7uv2/5F2CsUDV/5HW712Ei/2025-01-16_03-56-03/md_0_1_old.cpt" ]
3965	ecb4d7be-0f21-48f9-9eac-a74a6ccebc64	2lkv	2025-01-16 02:21:45	2025-01-16 04:05:13	1	Yes	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD	['5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu', '5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD'] [ "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu", "5FHTS8rc5gCfwaEK9npc9Lv9Kq7VZzWK3eCd9obewD1WatMe", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkv/5CzFiYvB/2025-01-16_02-21-44/2lkv.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkv/5CzFiYvB/2025-01-16_02-21-44/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkv/5CzFiYvB/2025-01-16_02-21-44/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lkv/5CzFiYvB/2025-01-16_02-21-44/2lkv.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 284.83}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 284.83 }, "water": "charmm36/water.xml" }	-8481.4014	2025-01-16 03:24:50	600	4	1500	1.000000	5	[''] [ "" ]
3927	7dd7e896-40ca-4747-a624-8b31484ea9f7	237l	2025-01-16 02:16:23	2025-01-16 03:48:12	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT	['5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw', '5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm', '5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr', '5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR'] [ "5CarftSXi4aTBLo62Wp2UjKavKqvczwLLC6hcnsC5wRnzUbw", "5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm", "5FFZBVP67LMzdVg3KjHhKQ6HQFMYSWZ8zJtdmW9U6Tpa4WwT", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5CkzwPiqDM75NuXNXPdX2rZ7nL1evsELQBfRmyHaKN44YLJm", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237l/5F4tQyWr/2025-01-16_02-16-22/237l.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237l/5F4tQyWr/2025-01-16_02-16-22/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237l/5F4tQyWr/2025-01-16_02-16-22/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/237l/5F4tQyWr/2025-01-16_02-16-22/237l.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 325.02}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 325.02 }, "water": "charmm36/water.xml" }	-16261.0479	2025-01-16 03:12:28	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5CarftSX/2025-01-16_03-48-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5GbrDsYK/2025-01-16_03-48-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5FFZBVP6/2025-01-16_03-48-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5H1PLX45/2025-01-16_03-48-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5HpDuDJb/2025-01-16_03-48-19/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5CkzwPiq/2025-01-16_03-48-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5FRHk95S/2025-01-16_03-48-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5DhNncUE/2025-01-16_03-48-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5DFuo6i7/2025-01-16_03-48-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5CcabLox/2025-01-16_03-48-20/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5CarftSX/2025-01-16_03-48-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5GbrDsYK/2025-01-16_03-48-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5FFZBVP6/2025-01-16_03-48-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5H1PLX45/2025-01-16_03-48-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5HpDuDJb/2025-01-16_03-48-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5CkzwPiq/2025-01-16_03-48-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5FRHk95S/2025-01-16_03-48-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5DhNncUE/2025-01-16_03-48-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5DFuo6i7/2025-01-16_03-48-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/237l/5F4tQyWr/5CcabLox/2025-01-16_03-48-20/md_0_1_old.cpt" ]
3926	e331df30-e50e-4f53-b6f2-280e07249eee	3ai3	2025-01-16 02:16:13	2025-01-16 04:28:18	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh	['5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85', '5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL', '5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh', '5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ', '5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC', '5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf'] [ "5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85", "5EaCbdDsJcKUF88JAUbrQHgZRQsAPBNFNeFhb2FMWZpuBiUL", "5Gurm68i4pR5wkEnJPirT8ai6xn3FoxvRp6s3fsbuMbNzxJh", "5EnT7oy4cVtbW9oxPsMCNg7TquZqWAEUtPeKfGnG1Y4Dd5NJ", "5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC", "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ai3/5F4tQyWr/2025-01-16_02-16-11/3ai3.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ai3/5F4tQyWr/2025-01-16_02-16-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ai3/5F4tQyWr/2025-01-16_02-16-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/3ai3/5F4tQyWr/2025-01-16_02-16-11/3ai3.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 303.38}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 303.38 }, "water": "amber14/tip3pfb.xml" }	-76598.0078	2025-01-16 03:46:49	600	7	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5Hgxdexn/2025-01-16_04-28-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5EaCbdDs/2025-01-16_04-28-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5Gurm68i/2025-01-16_04-28-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5EnT7oy4/2025-01-16_04-28-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5GEhtD5B/2025-01-16_04-28-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5H1W8b4q/2025-01-16_04-28-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5DJ6gt2p/2025-01-16_04-28-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5D4pv1fQ/2025-01-16_04-28-27/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5Hgxdexn/2025-01-16_04-28-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5EaCbdDs/2025-01-16_04-28-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5Gurm68i/2025-01-16_04-28-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5EnT7oy4/2025-01-16_04-28-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5GEhtD5B/2025-01-16_04-28-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5H1W8b4q/2025-01-16_04-28-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5DJ6gt2p/2025-01-16_04-28-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/3ai3/5F4tQyWr/5D4pv1fQ/2025-01-16_04-28-27/md_0_1.cpt" ]