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
15588	b4662db9-2eaa-45fd-b582-8b98bdd57f38	2oon	2025-01-31 07:49:15	2025-01-31 09:28:36	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ	['5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ', '5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ', '5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ', '5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY', '5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz', '5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ'] [ "5HKMcnD5iPDBvfL3HXiaEpN4J6T2Ro8wE2GjDzmVKqEYGapN", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5DP14rouWMM968X4pFfdW2TV56hVEaSuNmCKjgEZWU8QvZuZ", "5HEBtdd3ATnqWR7mj8iicPEdPTFy8C2KeFjuYAmoQUGueGhZ", "5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5F9nfJQEy1HZ7Qe9SkMPpJpPSucUQKwZrvd8LPAykAmGCvoJ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2oon/5F4tQyWr/2025-01-31_07-49-13/2oon.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2oon/5F4tQyWr/2025-01-31_07-49-13/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2oon/5F4tQyWr/2025-01-31_07-49-13/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2oon/5F4tQyWr/2025-01-31_07-49-13/2oon.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 214.61}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 214.61 }, "water": "charmm36/water.xml" }	-5182.3965	2025-01-31 08:40:17	600	5	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5GjWuUXL/2025-01-31_09-28-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5FLh1jsy/2025-01-31_09-28-43/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5EycN1NE/2025-01-31_09-28-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5Gy8GULq/2025-01-31_09-28-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5DP14rou/2025-01-31_09-28-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5HEBtdd3/2025-01-31_09-28-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5CSqSvkr/2025-01-31_09-28-46/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5HdfzvTF/2025-01-31_09-28-46/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5F9nfJQE/2025-01-31_09-28-46/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5GjWuUXL/2025-01-31_09-28-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5FLh1jsy/2025-01-31_09-28-43/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5EycN1NE/2025-01-31_09-28-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5Gy8GULq/2025-01-31_09-28-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5DP14rou/2025-01-31_09-28-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5HEBtdd3/2025-01-31_09-28-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5CSqSvkr/2025-01-31_09-28-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5HdfzvTF/2025-01-31_09-28-46/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2oon/5F4tQyWr/5F9nfJQE/2025-01-31_09-28-46/md_0_1.cpt" ]
15622	80b1ed86-cccc-48d4-b6e7-a46478502c8b	1tah	2025-01-31 07:47:38	2025-01-31 10:22:27	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC	['5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao', '5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB', '5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW', '5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv', '5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC'] [ "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao", "5GTWqP6SbqCpqMGGcuXVUrDc7Ai9zhhYFbP2FM3627VC7xRB", "5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tah/5Cg5QgjM/2025-01-31_07-47-36/1tah.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tah/5Cg5QgjM/2025-01-31_07-47-36/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tah/5Cg5QgjM/2025-01-31_07-47-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1tah/5Cg5QgjM/2025-01-31_07-47-36/1tah.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 303.02}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 303.02 }, "water": "amber14/tip3pfb.xml" }	-91548.8672	2025-01-31 08:40:25	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5FH24sg8/2025-01-31_10-22-27/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5Fq4S7oK/2025-01-31_10-22-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5GTWqP6S/2025-01-31_10-22-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5GhHYpa2/2025-01-31_10-22-33/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5ENZdoRq/2025-01-31_10-22-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5DPprcfa/2025-01-31_10-22-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5GsSM359/2025-01-31_10-22-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5G9WyBQN/2025-01-31_10-22-35/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5Eq9hKu9/2025-01-31_10-22-35/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5DkvT79z/2025-01-31_10-22-36/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5FH24sg8/2025-01-31_10-22-27/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5Fq4S7oK/2025-01-31_10-22-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5GTWqP6S/2025-01-31_10-22-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5GhHYpa2/2025-01-31_10-22-33/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5ENZdoRq/2025-01-31_10-22-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5DPprcfa/2025-01-31_10-22-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5GsSM359/2025-01-31_10-22-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5G9WyBQN/2025-01-31_10-22-35/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5Eq9hKu9/2025-01-31_10-22-35/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1tah/5Cg5QgjM/5DkvT79z/2025-01-31_10-22-36/md_0_1.cpt" ]
15621	79f759b4-0e82-4790-b5b8-43ab769f4f71	1kr8	2025-01-31 07:47:14	2025-01-31 09:51:44	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9	['5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA', '5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC', '5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz'] [ "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5Dc8cxYUGukZLtqVR1svegPfrBEgsPj19FvB6Ze5wU2F3obA", "5C7LuavGUC9B1jrMY4ZqW7kGwaqsbXR4VUqDTuJfSPhZxajC", "5HHActHDDnKagLwz8ZJzZnhw6nmqdBG9U7K1PRSjnc5wuMYm", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kr8/5GKH9FPP/2025-01-31_07-47-11/1kr8.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kr8/5GKH9FPP/2025-01-31_07-47-11/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kr8/5GKH9FPP/2025-01-31_07-47-11/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1kr8/5GKH9FPP/2025-01-31_07-47-11/1kr8.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 213.92}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 213.92 }, "water": "amber14/tip3pfb.xml" }	-2561.7778	2025-01-31 08:58:59	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5GrzLRi3/2025-01-31_09-51-50/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5CMEJjrh/2025-01-31_09-51-52/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5Eq9hKu9/2025-01-31_09-51-52/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5FFFNMin/2025-01-31_09-51-53/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5FeeZzWZ/2025-01-31_09-51-54/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5Dc8cxYU/2025-01-31_09-51-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5C7LuavG/2025-01-31_09-51-55/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5HHActHD/2025-01-31_09-51-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5Gb5EGGA/2025-01-31_09-51-55/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5CaUeYYY/2025-01-31_09-51-56/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5GrzLRi3/2025-01-31_09-51-50/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5CMEJjrh/2025-01-31_09-51-52/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5Eq9hKu9/2025-01-31_09-51-52/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5FFFNMin/2025-01-31_09-51-53/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5FeeZzWZ/2025-01-31_09-51-54/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5Dc8cxYU/2025-01-31_09-51-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5C7LuavG/2025-01-31_09-51-55/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5HHActHD/2025-01-31_09-51-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5Gb5EGGA/2025-01-31_09-51-55/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1kr8/5GKH9FPP/5CaUeYYY/2025-01-31_09-51-56/md_0_1_old.cpt" ]
15587	c5087559-50ae-452f-ba30-4cbaaff4b05b	4n6u	2025-01-31 07:46:58	2025-01-31 09:26:00	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9	['5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW', '5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao', '5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC', '5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy', '5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ', '5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah'] [ "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5GhHYpa2qSBZaLuTYJwTPRqYdFqv4Fwu8edNxrVTp3LwPMKW", "5Fq4S7oKgh6fyFNyB8u6Y9fvFzuazM4984boWjwZa8yGJWao", "5E7u7wM5iskNjhvzP7WJ8vbyLjKmQeBEucmyUPycYSuwj7P6", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5D2utUteNvrp2rzkJ8R3VBjfxiE2dGwE4erfh7gGSTVp86fC", "5Eq9hKu9nGZFyZo5arGCwVmxKB4Np4PUds7T5nw8gLmoZnhy", "5CkvSoEPQZKRibHNS1d15AuspBiczqEZkmqAPUkyZV67HrqQ", "5FKxjBGcnrDB85XM5apmW5ZWrxEYo7htfUUERcFxXbZUm3Ah" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n6u/5F4tQyWr/2025-01-31_07-46-56/4n6u.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n6u/5F4tQyWr/2025-01-31_07-46-56/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n6u/5F4tQyWr/2025-01-31_07-46-56/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4n6u/5F4tQyWr/2025-01-31_07-46-56/4n6u.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 231.24}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 231.24 }, "water": "charmm36/water.xml" }	-6826.9141	2025-01-31 08:37:50	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5C8aeZq1/2025-01-31_09-26-07/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5EbgU56i/2025-01-31_09-26-09/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5GhHYpa2/2025-01-31_09-26-11/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5Fq4S7oK/2025-01-31_09-26-13/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5E7u7wM5/2025-01-31_09-26-15/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5FFFNMin/2025-01-31_09-26-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5D2utUte/2025-01-31_09-26-16/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5Eq9hKu9/2025-01-31_09-26-16/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5CkvSoEP/2025-01-31_09-26-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5FKxjBGc/2025-01-31_09-26-17/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5C8aeZq1/2025-01-31_09-26-07/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5EbgU56i/2025-01-31_09-26-09/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5GhHYpa2/2025-01-31_09-26-11/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5Fq4S7oK/2025-01-31_09-26-13/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5E7u7wM5/2025-01-31_09-26-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5FFFNMin/2025-01-31_09-26-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5D2utUte/2025-01-31_09-26-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5Eq9hKu9/2025-01-31_09-26-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5CkvSoEP/2025-01-31_09-26-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4n6u/5F4tQyWr/5FKxjBGc/2025-01-31_09-26-17/md_0_1.cpt" ]
15583	de26ec32-b8e1-4663-8063-60f81fd190e2	7mng	2025-01-31 07:44:31	2025-01-31 09:23:13	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e	['5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e', '5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML', '5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT'] [ "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5DaVVLYYKt96FL9kGDZni189JrrsLWnx45ttSr1r7FaZkE7e", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5FZEixsSBKSzchjbyit9E88jBMrsTnhPEd81k7Gcw6KdBkML", "5DhhnQF1mS5Zh2QMs73eto88SHYsHgbhJadG5rpecW8LzAy7", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5Eji3erbxeLoNwMGzmgXJJteECGyitNPURNz4rybMnCsFacT" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7mng/5F4tQyWr/2025-01-31_07-44-29/7mng.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7mng/5F4tQyWr/2025-01-31_07-44-29/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7mng/5F4tQyWr/2025-01-31_07-44-29/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7mng/5F4tQyWr/2025-01-31_07-44-29/7mng.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 268.54}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 268.54 }, "water": "amber14/tip3pfb.xml" }	-26508.8086	2025-01-31 08:35:01	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5G6mzcBY/2025-01-31_09-23-20/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5DaVVLYY/2025-01-31_09-23-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5FeeZzWZ/2025-01-31_09-23-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5G9WyBQN/2025-01-31_09-23-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5FZEixsS/2025-01-31_09-23-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5DhhnQF1/2025-01-31_09-23-22/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5G27Crdi/2025-01-31_09-23-22/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5Fs8ex9e/2025-01-31_09-23-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5HdFjgzv/2025-01-31_09-23-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5Eji3erb/2025-01-31_09-23-23/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5G6mzcBY/2025-01-31_09-23-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5DaVVLYY/2025-01-31_09-23-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5FeeZzWZ/2025-01-31_09-23-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5G9WyBQN/2025-01-31_09-23-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5FZEixsS/2025-01-31_09-23-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5DhhnQF1/2025-01-31_09-23-22/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5G27Crdi/2025-01-31_09-23-22/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5Fs8ex9e/2025-01-31_09-23-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5HdFjgzv/2025-01-31_09-23-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/7mng/5F4tQyWr/5Eji3erb/2025-01-31_09-23-23/md_0_1_old.cpt" ]
15620	1aac3f92-6eec-4864-af1b-a9967eb878cb	2ekt	2025-01-31 07:41:57	2025-01-31 09:50:42	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL	['5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4', '5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg', '5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb'] [ "5HR74jwTECMkW7PFCufTqhR1RkXEA3T5HgoVPpEJAxAPqTQn", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5GjWuUXLgGuD6MFHapL5Xc3ohkZfsPf7C8LvYhdseZP7p7x4", "5C8aeZq1Byy2GcyxM1FBA2gFxZeDCF7Dd9RKvfGTD4ci3RPg", "5DJ6gt2pbxtJG6vReQv17mZ46T9dycnqzg5obEVUpsYGsDr8", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5Fs8ex9eFQ2Nr75CW5MGh9uCyZevi3HM4PWzshfmZxGXw4BL", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ekt/5GKH9FPP/2025-01-31_07-41-55/2ekt.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ekt/5GKH9FPP/2025-01-31_07-41-55/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ekt/5GKH9FPP/2025-01-31_07-41-55/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ekt/5GKH9FPP/2025-01-31_07-41-55/2ekt.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 202.23}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 202.23 }, "water": "amber14/tip3pfb.xml" }	-12366.8438	2025-01-31 08:58:17	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5HR74jwT/2025-01-31_09-50-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5EyWujpT/2025-01-31_09-50-54/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5GjWuUXL/2025-01-31_09-50-57/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5C8aeZq1/2025-01-31_09-50-58/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5DJ6gt2p/2025-01-31_09-50-59/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5GeHm4rw/2025-01-31_09-51-01/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5Fs8ex9e/2025-01-31_09-51-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5Gbc1Dzo/2025-01-31_09-51-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5DXiys3z/2025-01-31_09-51-04/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5Cfkokas/2025-01-31_09-51-05/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5HR74jwT/2025-01-31_09-50-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5EyWujpT/2025-01-31_09-50-54/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5GjWuUXL/2025-01-31_09-50-57/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5C8aeZq1/2025-01-31_09-50-58/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5DJ6gt2p/2025-01-31_09-50-59/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5GeHm4rw/2025-01-31_09-51-01/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5Fs8ex9e/2025-01-31_09-51-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5Gbc1Dzo/2025-01-31_09-51-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5DXiys3z/2025-01-31_09-51-04/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ekt/5GKH9FPP/5Cfkokas/2025-01-31_09-51-05/md_0_1_old.cpt" ]
15619	72f4bc7a-bc30-4c59-b5e7-21feedaae2ab	2h8z	2025-01-31 07:41:01	2025-01-31 08:57:03	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS	['5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo', '5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS', '5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT'] [ "5EEvdk6dqZ3hG5HF5iCfegokQsNHWboFjCnH6oShAuQyznRo", "5DU7YwrR8W41ydbsNfWadmeWtFsEAWn4SFrMyctWAEi9MFWT", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5EycN1NEU1NNfj1hR88vqV5jynnsjoq1rv1UFSv5w7HcXZBS", "5FKYxVkMaLo2bkwtk5jYDZkZCdgSnDgGY5cqnwj7qHjnZVCT" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h8z/5CzFiYvB/2025-01-31_07-40-43/2h8z.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h8z/5CzFiYvB/2025-01-31_07-40-43/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h8z/5CzFiYvB/2025-01-31_07-40-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h8z/5CzFiYvB/2025-01-31_07-40-43/2h8z.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 210.02}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.98, "temperature": 210.02 }, "water": "charmm36/water.xml" }	-24359.3262	2025-01-31 08:21:25	600	6	1500	1.000000	5	['', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5DU7YwrR/2025-01-31_08-57-08/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5EyWujpT/2025-01-31_08-57-09/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5EycN1NE/2025-01-31_08-57-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5FKYxVkM/2025-01-31_08-57-10/md_0_1.cpt'] [ "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5DU7YwrR/2025-01-31_08-57-08/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5EyWujpT/2025-01-31_08-57-09/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5EycN1NE/2025-01-31_08-57-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2h8z/5CzFiYvB/5FKYxVkM/2025-01-31_08-57-10/md_0_1.cpt" ]
15618	e17f92a0-d3e9-4e9d-8cc5-bf932950d37a	6y27	2025-01-31 07:40:04	2025-01-31 10:11:45	1	No	No	5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy	5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq	['5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq', '5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV', '5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx', '5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm', '5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u', '5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3'] [ "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5HZ1iqyaCx4H7JChB2SoMVhcvwRTYMZ3BnCNh8MSEZ8TMNuD", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq", "5Fv5nUTQ5cyTGwkoxVaLT89v1urLX38ZZBsktpzea5e2VKiV", "5HGuQx5wpfBhK73yj2vDZZbzyt3juwGYNoAwzbgKKiUUmEyx", "5ExkyH3gUoW82tH91rEYSg2fdVh7DoUQXMUBByMjEkQ73dsJ", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5F1boa8CkEwcJrxB1wEHUATQUVDQv3STKguk5qjs78iTxAHm", "5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u", "5H5wXPTT2EwiT6yfoxzBgvjCFmxo3rEGMyVvn6ZfUkuy9jT3" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6y27/5Cg5QgjM/2025-01-31_07-40-02/6y27.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6y27/5Cg5QgjM/2025-01-31_07-40-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6y27/5Cg5QgjM/2025-01-31_07-40-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6y27/5Cg5QgjM/2025-01-31_07-40-02/6y27.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.93, 'temperature': 355.65}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.93, "temperature": 355.65 }, "water": "charmm36/water.xml" }	-31833.3848	2025-01-31 08:31:06	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5EbgU56i/2025-01-31_10-11-45/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5HZ1iqya/2025-01-31_10-11-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5HbmGqZk/2025-01-31_10-11-47/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5Fv5nUTQ/2025-01-31_10-11-48/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5HGuQx5w/2025-01-31_10-11-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5ExkyH3g/2025-01-31_10-11-48/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5H1PLX45/2025-01-31_10-11-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5F1boa8C/2025-01-31_10-11-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5EWwHneX/2025-01-31_10-11-49/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5H5wXPTT/2025-01-31_10-11-49/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5EbgU56i/2025-01-31_10-11-45/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5HZ1iqya/2025-01-31_10-11-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5HbmGqZk/2025-01-31_10-11-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5Fv5nUTQ/2025-01-31_10-11-48/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5HGuQx5w/2025-01-31_10-11-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5ExkyH3g/2025-01-31_10-11-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5H1PLX45/2025-01-31_10-11-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5F1boa8C/2025-01-31_10-11-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5EWwHneX/2025-01-31_10-11-49/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6y27/5Cg5QgjM/5H5wXPTT/2025-01-31_10-11-49/md_0_1_old.cpt" ]
15617	c85abf88-04a3-4884-b386-aa811703c4a8	2lzq	2025-01-31 07:37:57	2025-01-31 09:49:28	1	No	No	5GKH9FPPnWSUoeeTJp19wVtd84XqFW4pyK2ijV2GsFbhTrP1	5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ	['5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC', '5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr', '5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn', '5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv', '5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed', '5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE', '5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1', '5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ'] [ "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5FH24sg8tiKe7XksR7oo8zTgtgeXUGc74TZErk7cuHS1oBSU", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr", "5HdFjgzvDd1q4YLGFF6rR6WD9absxXaMFHT9Q193BJiNYTNn", "5HU3t5NcoezYQaCBezB4G3D85Rztj9gCMq4toY4RLTfBNrKv", "5H3uS2zMb9ukGk6w6khKGRG9itUBruUHaNG4XeTFgt2RVJed", "5Eh1ZgyGKdhBnuBD1ddi6EtRQDqavNQhFtUKDimJodEaevuE", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzq/5GKH9FPP/2025-01-31_07-37-54/2lzq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzq/5GKH9FPP/2025-01-31_07-37-54/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzq/5GKH9FPP/2025-01-31_07-37-54/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2lzq/5GKH9FPP/2025-01-31_07-37-54/2lzq.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 297.38}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.02, "temperature": 297.38 }, "water": "charmm36/water.xml" }	-3731.3689	2025-01-31 08:56:45	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5CkkTeB4/2025-01-31_09-49-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5FH24sg8/2025-01-31_09-49-36/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5EEwj36U/2025-01-31_09-49-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5Eo36DdG/2025-01-31_09-49-37/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5HdFjgzv/2025-01-31_09-49-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5HU3t5Nc/2025-01-31_09-49-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5H3uS2zM/2025-01-31_09-49-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5Eh1ZgyG/2025-01-31_09-49-39/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5Gxq2tRq/2025-01-31_09-49-40/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5D9nYrVf/2025-01-31_09-49-40/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5CkkTeB4/2025-01-31_09-49-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5FH24sg8/2025-01-31_09-49-36/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5EEwj36U/2025-01-31_09-49-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5Eo36DdG/2025-01-31_09-49-37/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5HdFjgzv/2025-01-31_09-49-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5HU3t5Nc/2025-01-31_09-49-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5H3uS2zM/2025-01-31_09-49-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5Eh1ZgyG/2025-01-31_09-49-39/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5Gxq2tRq/2025-01-31_09-49-40/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2lzq/5GKH9FPP/5D9nYrVf/2025-01-31_09-49-40/md_0_1.cpt" ]
15579	9a2cc6da-f30b-42b0-826d-bb1764a9b529	1h70	2025-01-31 07:32:11	2025-01-31 09:07:31	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX	['5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt', '5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm', '5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e', '5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh', '5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX', '5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu'] [ "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5CMEJjrhiVtDeRY5r476TRSngTX57f6bNGMrh8zWBDzjsMJt", "5CV8vqhDbKMvKk2x3e6Ck4vmYowgFXG1Jhza4WVQB2pNqtFm", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5E4Eu5KBq7ycKFTtHNRdcQUUwPrUWQHtLCajchG9dYy25L2e", "5E4Sun3ne3iC66F71XE9wjopWLJu5s7X48W6CycxgdqaCkPh", "5GxMgpTjiuTz6kLDfCAczeopabnMSjySuRoiN5i6UH2nMpsX", "5FRHk95SBd4C8AXJHoTxwMjLQtSXAWXp9zmv2yVDaLkhNky1", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h70/5F4tQyWr/2025-01-31_07-32-10/1h70.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h70/5F4tQyWr/2025-01-31_07-32-10/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h70/5F4tQyWr/2025-01-31_07-32-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1h70/5F4tQyWr/2025-01-31_07-32-10/1h70.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 383.32}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.01, "temperature": 383.32 }, "water": "amber14/tip3pfb.xml" }	-20920.0449	2025-01-31 08:15:13	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5H3NbTt2/2025-01-31_09-07-38/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5CMEJjrh/2025-01-31_09-07-40/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5CV8vqhD/2025-01-31_09-07-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5C5mW9ze/2025-01-31_09-07-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5DhNncUE/2025-01-31_09-07-42/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5E4Eu5KB/2025-01-31_09-07-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5E4Sun3n/2025-01-31_09-07-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5GxMgpTj/2025-01-31_09-07-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5FRHk95S/2025-01-31_09-07-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5DXiys3z/2025-01-31_09-07-43/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5H3NbTt2/2025-01-31_09-07-38/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5CMEJjrh/2025-01-31_09-07-40/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5CV8vqhD/2025-01-31_09-07-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5C5mW9ze/2025-01-31_09-07-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5DhNncUE/2025-01-31_09-07-42/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5E4Eu5KB/2025-01-31_09-07-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5E4Sun3n/2025-01-31_09-07-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5GxMgpTj/2025-01-31_09-07-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5FRHk95S/2025-01-31_09-07-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1h70/5F4tQyWr/5DXiys3z/2025-01-31_09-07-43/md_0_1.cpt" ]
15578	950a773a-a27e-47aa-96ef-0d08785fe2af	6d2h	2025-01-31 07:31:05	2025-01-31 09:06:18	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2	['5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S', '5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs', '5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5', '5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u', '5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg', '5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P', '5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu', '5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ'] [ "5DUBJXqHSgKZEWURAcHGMkZjAE5EKh4XF812z1zXasojHk7S", "5FxpkNkqiQ9EM2NRmrG38JXdWsD8oM4yqsTCeF5p7aVWnPKs", "5G9iNxym6jPAdeYfJg9GmTMt39rz4GGxxxCXS2oLCz46G8H5", "5EWwHneX7xGHSBVRCGqb1NbK7giPc4wdLqvYcyf2J5ihuK9u", "5GeHm4rwxq9dZioxFjeeYmmCYvykqLsB11HTLnFmT6HFHNTg", "5DXXiX9iGCFUUabLDUQpRRzg3kkARhREPpmRDB8s93Zq385P", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5EyWujpTei9XXEQcg55ca23owv9usgXtWtsF8UKJwkJRbRAu", "5D9nYrVfCFps7pBnVNBUK1TEfDrh2Wc8unEeRSjQvgfcGTfZ" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d2h/5F4tQyWr/2025-01-31_07-28-26/6d2h.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d2h/5F4tQyWr/2025-01-31_07-28-26/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d2h/5F4tQyWr/2025-01-31_07-28-26/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6d2h/5F4tQyWr/2025-01-31_07-28-26/6d2h.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 205.41}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.03, "temperature": 205.41 }, "water": "charmm36/water.xml" }	-2491.4797	2025-01-31 08:13:36	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5DUBJXqH/2025-01-31_09-06-24/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5FxpkNkq/2025-01-31_09-06-26/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5G9iNxym/2025-01-31_09-06-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5EWwHneX/2025-01-31_09-06-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5GeHm4rw/2025-01-31_09-06-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5DXXiX9i/2025-01-31_09-06-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5GrzLRi3/2025-01-31_09-06-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5Gbc1Dzo/2025-01-31_09-06-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5EyWujpT/2025-01-31_09-06-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5D9nYrVf/2025-01-31_09-06-29/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5DUBJXqH/2025-01-31_09-06-24/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5FxpkNkq/2025-01-31_09-06-26/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5G9iNxym/2025-01-31_09-06-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5EWwHneX/2025-01-31_09-06-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5GeHm4rw/2025-01-31_09-06-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5DXXiX9i/2025-01-31_09-06-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5GrzLRi3/2025-01-31_09-06-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5Gbc1Dzo/2025-01-31_09-06-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5EyWujpT/2025-01-31_09-06-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6d2h/5F4tQyWr/5D9nYrVf/2025-01-31_09-06-29/md_0_1.cpt" ]
15616	5af1ba8b-b86d-4147-9ad6-53b26d5ac961	1ulc	2025-01-31 07:30:24	2025-01-31 08:39:56	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF	['5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss', '5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J', '5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT', '5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb', '5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF'] [ "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5GHdVT5qekdbtMcpixMVy2iyUd7LGWm5JRReGXpZ5VgbGz3J", "5Ew6RyYqJrcJ61YaDfKTheVjg1nBmq69PXDpSWXMgidXezYT", "5G9WyBQNqLmAjzGz9yzCUvFPpsduVAxGCEe8Uahufp6zBdqb", "5EsKitVxPCqi4jA2GMTw3cne8zyZ1vGYwCWAmrryM2FikJEF" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ulc/5CzFiYvB/2025-01-31_07-30-23/1ulc.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ulc/5CzFiYvB/2025-01-31_07-30-23/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ulc/5CzFiYvB/2025-01-31_07-30-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ulc/5CzFiYvB/2025-01-31_07-30-23/1ulc.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 377.71}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.07, "temperature": 377.71 }, "water": "charmm36/water.xml" }	-10900.1914	2025-01-31 08:06:48	600	6	1500	1.000000	5	['', '', '', '', ''] [ "", "", "", "", "" ]
15572	a6b42f94-d0e0-48ba-b2da-a8bd18d9c684	4jld	2025-01-31 07:28:01	2025-01-31 09:03:20	1	No	No	5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3	5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW	['5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW', '5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau', '5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY', '5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2', '5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb', '5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG', '5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ', '5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49', '5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt'] [ "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5EEwj36UAJXy9m9vDeuqMnC8YaCk6WE75UkzD5mCuE5Nm3oY", "5H1PLX45H6sGaGpKD1iFBdkYry2XrgTpK9h3JH5j2qCAzHx2", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5FF48AEJWPisC3AE1jGU8RGZyQP5PSHUc1yQSZESNKMLRGLQ", "5DcKLuwDjpPAACbzdsKsN9W1pGGipyhHhe9oRZUPMWLrQi49", "5Ec4VqshR44WuWa18df172NHyMT6jeUEF8g4rXon28TaW6wt" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jld/5F4tQyWr/2025-01-31_07-27-59/4jld.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jld/5F4tQyWr/2025-01-31_07-27-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jld/5F4tQyWr/2025-01-31_07-27-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4jld/5F4tQyWr/2025-01-31_07-27-59/4jld.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.03, 'temperature': 296.53}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.03, "temperature": 296.53 }, "water": "amber14/tip3pfb.xml" }	-39815.7891	2025-01-31 08:10:44	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5DFuo6i7/2025-01-31_09-03-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5HWFxVD3/2025-01-31_09-03-27/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5EEwj36U/2025-01-31_09-03-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5H1PLX45/2025-01-31_09-03-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5Cfkokas/2025-01-31_09-03-28/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5HN4zGAv/2025-01-31_09-03-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5CoEdgdk/2025-01-31_09-03-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5FF48AEJ/2025-01-31_09-03-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5DcKLuwD/2025-01-31_09-03-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5Ec4Vqsh/2025-01-31_09-03-29/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5DFuo6i7/2025-01-31_09-03-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5HWFxVD3/2025-01-31_09-03-27/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5EEwj36U/2025-01-31_09-03-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5H1PLX45/2025-01-31_09-03-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5Cfkokas/2025-01-31_09-03-28/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5HN4zGAv/2025-01-31_09-03-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5CoEdgdk/2025-01-31_09-03-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5FF48AEJ/2025-01-31_09-03-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5DcKLuwD/2025-01-31_09-03-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/4jld/5F4tQyWr/5Ec4Vqsh/2025-01-31_09-03-29/md_0_1.cpt" ]
15613	c1562080-99c6-4563-ac68-9fb523fd3aec	1yrk	2025-01-31 07:26:17	2025-01-31 09:47:10	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9	['5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp', '5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX', '5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6', '5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP', '5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6', '5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9', '5G4kqfwhurhV3cjMMd28JRWMYHQiFW51F6txfZaxWe63cBC9', '5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex'] [ "5HN4zGAveXSriR8daw49NTtHQqWpQJWaBv9zH7dVTvFvHmHp", "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5G27CrdiorqJeQd9yASKVAkVzVomUw8qbJie3LJ1afuuxqk6", "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5EbgU56iyVtTfVXb5Tr1xe642c6T4HphNNYFM19xT3nXHyM9", "5G4kqfwhurhV3cjMMd28JRWMYHQiFW51F6txfZaxWe63cBC9", "5Dce7pxYG4orKnG4KrcUKwFn7saU74yg2ereArLAz399L7ex" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yrk/5FFApaS7/2025-01-31_07-26-16/1yrk.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yrk/5FFApaS7/2025-01-31_07-26-16/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yrk/5FFApaS7/2025-01-31_07-26-16/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1yrk/5FFApaS7/2025-01-31_07-26-16/1yrk.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.98, 'temperature': 204.21}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.98, "temperature": 204.21 }, "water": "amber14/tip3pfb.xml" }	-13571.5596	2025-01-31 08:36:57	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5HN4zGAv/2025-01-31_09-47-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5H3NbTt2/2025-01-31_09-47-19/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5G27Crdi/2025-01-31_09-47-21/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5Gseg5jc/2025-01-31_09-47-24/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5GsSM359/2025-01-31_09-47-24/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5HYkJT1S/2025-01-31_09-47-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5EcFV1Tp/2025-01-31_09-47-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5EbgU56i/2025-01-31_09-47-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5G4kqfwh/2025-01-31_09-47-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5Dce7pxY/2025-01-31_09-47-25/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5HN4zGAv/2025-01-31_09-47-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5H3NbTt2/2025-01-31_09-47-19/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5G27Crdi/2025-01-31_09-47-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5Gseg5jc/2025-01-31_09-47-24/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5GsSM359/2025-01-31_09-47-24/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5HYkJT1S/2025-01-31_09-47-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5EcFV1Tp/2025-01-31_09-47-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5EbgU56i/2025-01-31_09-47-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5G4kqfwh/2025-01-31_09-47-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1yrk/5FFApaS7/5Dce7pxY/2025-01-31_09-47-25/md_0_1.cpt" ]
15612	32f6c974-e2fa-49a3-8b5f-25deb283fa87	278d	2025-01-31 07:25:00	2025-01-31 09:45:19	1	No	No	5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v	5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj	['5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ', '5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox', '5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC', '5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy', '5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ', '5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj'] [ "5Ey8VdnSG4H2gtzV9UhU4EKV5UkwE72vAEjddu6hPFbySUaJ", "5GehSP5BUyoXWtzQp19md9FMpypUKq27B86nHxBUTzadMHox", "5DkvT79zQMQvgNFxu4KveNHfE3qgftf2iKyGpMEwrMdSMSeC", "5EsKXx7MksKueELXFRJDiLAVUcmsrHXVhGyMit1DHSL2261t", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5DEyuVfFrMZxwhHdVj9Wt6Jn9EtHdDK6xtQfTVtGcvxHwbVQ", "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/278d/5FFApaS7/2025-01-31_07-24-59/278d.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/278d/5FFApaS7/2025-01-31_07-24-59/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/278d/5FFApaS7/2025-01-31_07-24-59/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/278d/5FFApaS7/2025-01-31_07-24-59/278d.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 234.81}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 234.81 }, "water": "amber14/tip3pfb.xml" }	-2922.2029	2025-01-31 08:35:19	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5Ey8VdnS/2025-01-31_09-45-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5GehSP5B/2025-01-31_09-45-28/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5DkvT79z/2025-01-31_09-45-29/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5EsKXx7M/2025-01-31_09-45-31/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5FFFNMin/2025-01-31_09-45-32/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5CMHnFiW/2025-01-31_09-45-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5G6mzcBY/2025-01-31_09-45-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5Gb5EGGA/2025-01-31_09-45-37/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5DEyuVfF/2025-01-31_09-45-38/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5FPK4CeE/2025-01-31_09-45-41/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5Ey8VdnS/2025-01-31_09-45-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5GehSP5B/2025-01-31_09-45-28/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5DkvT79z/2025-01-31_09-45-29/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5EsKXx7M/2025-01-31_09-45-31/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5FFFNMin/2025-01-31_09-45-32/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5CMHnFiW/2025-01-31_09-45-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5G6mzcBY/2025-01-31_09-45-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5Gb5EGGA/2025-01-31_09-45-37/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5DEyuVfF/2025-01-31_09-45-38/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/278d/5FFApaS7/5FPK4CeE/2025-01-31_09-45-41/md_0_1.cpt" ]
15611	03af8883-301a-49ff-9f46-897e5fba501c	2ro9	2025-01-31 07:24:47	2025-01-31 08:16:04	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP	['5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP', '5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH', '5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj', '5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr', '5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt'] [ "5Gseg5jcWAsJBarCu7TeJ5uu5VZztG5Xy1E3He9jXgf7PeZP", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5Hh4RLJAJqcwPUhpqtCvBvWK1HaEL9DKMAjneuYGX7Dpgfdj", "5EcFV1TpAiBaDELq5S3kAMugji2de6yCkywQAaVFDUYuKHdr", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ro9/5CzFiYvB/2025-01-31_07-24-45/2ro9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ro9/5CzFiYvB/2025-01-31_07-24-45/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ro9/5CzFiYvB/2025-01-31_07-24-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ro9/5CzFiYvB/2025-01-31_07-24-45/2ro9.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 265.31}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 265.31 }, "water": "charmm36/water.xml" }	0.0000	2025-01-31 07:37:24	600	5	1500	1.000000	5	['', '', '', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ro9/5CzFiYvB/5EcFV1Tp/2025-01-31_08-16-10/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ro9/5CzFiYvB/5GutyMJ2/2025-01-31_08-16-14/md_0_1.cpt'] [ "", "", "", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ro9/5CzFiYvB/5EcFV1Tp/2025-01-31_08-16-10/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ro9/5CzFiYvB/5GutyMJ2/2025-01-31_08-16-14/md_0_1.cpt" ]
15610	df77cfe3-d966-42ba-b2c6-98f3227f4345	5jwy	2025-01-31 07:23:04	2025-01-31 08:15:17	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj	['5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf', '5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2', '5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps', '5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj', '5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t'] [ "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5Gbc1Dzo2qVtshz6TAogfRrtYMxiZ5zmctEewHH6C72ZYea2", "5DhNncUEc2QfkhDofF6eaQt1KXYb283v72mZ8nyBQVtB8dps", "5FPK4CeEiZ5z5vXiZXsNnYSDQkuguAiR7qVdr17ri4J9KoUj", "5C5mW9zeBCoagXLJoUmvwVmjQBiwgKWi1w8PXSYNEPcSGH2t" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jwy/5CzFiYvB/2025-01-31_07-23-02/5jwy.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jwy/5CzFiYvB/2025-01-31_07-23-02/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jwy/5CzFiYvB/2025-01-31_07-23-02/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5jwy/5CzFiYvB/2025-01-31_07-23-02/5jwy.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 201.81}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 201.81 }, "water": "amber14/tip3pfb.xml" }	-21477.1172	2025-01-31 07:44:29	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5D4pv1fQ/2025-01-31_08-15-23/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5Gbc1Dzo/2025-01-31_08-15-25/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5DhNncUE/2025-01-31_08-15-25/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5FPK4CeE/2025-01-31_08-15-26/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5C5mW9ze/2025-01-31_08-15-27/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5D4pv1fQ/2025-01-31_08-15-23/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5Gbc1Dzo/2025-01-31_08-15-25/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5DhNncUE/2025-01-31_08-15-25/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5FPK4CeE/2025-01-31_08-15-26/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5jwy/5CzFiYvB/5C5mW9ze/2025-01-31_08-15-27/md_0_1.cpt" ]
15609	3f518218-c997-4bce-9381-bcd7755c316b	5x38	2025-01-31 07:20:32	2025-01-31 08:14:35	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31	['5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE', '5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu', '5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227', '5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud', '5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31'] [ "5D8JdLSrmmQZkQz9vdBbGpNYSuhJqkFNVi71GhvmwZKGR5LE", "5DXiys3zYTj57jyCrNdRWxwiJhzx3ApnwCoG514zoTkzPBWu", "5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227", "5GeqtuH4oP4pg7oyanisyxPjGB7qvbhwcMcjHjHFDNZnSdud", "5HYVRNRE2CmLZ7LRhafapNrmwaemtgFK23AW3JPtnfSZGQ31" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x38/5CzFiYvB/2025-01-31_07-20-30/5x38.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x38/5CzFiYvB/2025-01-31_07-20-30/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x38/5CzFiYvB/2025-01-31_07-20-30/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5x38/5CzFiYvB/2025-01-31_07-20-30/5x38.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 330.79}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.1, "temperature": 330.79 }, "water": "amber14/tip3pfb.xml" }	-1778.9409	2025-01-31 07:43:48	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5D8JdLSr/2025-01-31_08-14-41/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5DXiys3z/2025-01-31_08-14-42/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5C4xDki7/2025-01-31_08-14-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5GeqtuH4/2025-01-31_08-14-43/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5HYVRNRE/2025-01-31_08-14-43/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5D8JdLSr/2025-01-31_08-14-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5DXiys3z/2025-01-31_08-14-42/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5C4xDki7/2025-01-31_08-14-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5GeqtuH4/2025-01-31_08-14-43/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/5x38/5CzFiYvB/5HYVRNRE/2025-01-31_08-14-43/md_0_1.cpt" ]
15608	f185752d-3647-4ae0-a15e-17c33632ebf0	2ens	2025-01-31 07:20:19	2025-01-31 08:13:57	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z	['5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1', '5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9', '5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti', '5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z', '5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y'] [ "5DPprcfaz2tkFyAguiX3FxDM3AW4gStCmY9fB2PncXqKYdS1", "5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9", "5DyitGMUNyspqhtQfHxRubH55djvPdzbCwpGU2qmaCGqjnti", "5HHGSKLzn7MTz9G1SCMqqagTuAJXM3WpH5xdoWFiD56EfR8z", "5FNEiDZGKbG4PruQ1sbeMQaqAyit8XZXWP7dnfohvmphXh5y" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ens/5CzFiYvB/2025-01-31_07-20-17/2ens.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ens/5CzFiYvB/2025-01-31_07-20-17/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ens/5CzFiYvB/2025-01-31_07-20-17/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2ens/5CzFiYvB/2025-01-31_07-20-17/2ens.pdb" }	{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 244.53}} { "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.04, "temperature": 244.53 }, "water": "amber14/tip3pfb.xml" }	-3163.3948	2025-01-31 07:43:26	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5DPprcfa/2025-01-31_08-14-03/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5FFFNMin/2025-01-31_08-14-17/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5DyitGMU/2025-01-31_08-14-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5HHGSKLz/2025-01-31_08-14-18/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5FNEiDZG/2025-01-31_08-14-18/md_0_1_old.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5DPprcfa/2025-01-31_08-14-03/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5FFFNMin/2025-01-31_08-14-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5DyitGMU/2025-01-31_08-14-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5HHGSKLz/2025-01-31_08-14-18/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/2ens/5CzFiYvB/5FNEiDZG/2025-01-31_08-14-18/md_0_1_old.cpt" ]
15607	6b389140-0502-40fc-bd03-21ec9c31c36b	6tx6	2025-01-31 07:18:47	2025-01-31 08:13:25	1	No	No	5CzFiYvBhg9e3uNbPycSob9jiRX1o8ZNWigxWwk8YEYBgZ3J	5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq	['5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL', '5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8', '5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT', '5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq', '5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY'] [ "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5EjRpczoR5xuynaUL7kQyfRMw6xZ9eyLmBEM4nd1iJBp1mc8", "5CJmAajhCF6koJWeRwt445ckzGfhK3XzH26MKeLaoHoJ6SKT", "5HbmGqZk2FvGh3oryXXEyE2FSmAeaYGGtS9QjuDE2BJW7JQq", "5CSqSvkrCAGTFMGe3ffMgnUff8ipeHNeGDJmoBnfjJfnSSEY" ]	{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tx6/5CzFiYvB/2025-01-31_07-18-45/6tx6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tx6/5CzFiYvB/2025-01-31_07-18-45/em.cpt'} { "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tx6/5CzFiYvB/2025-01-31_07-18-45/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6tx6/5CzFiYvB/2025-01-31_07-18-45/6tx6.pdb" }	{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.0, 'temperature': 269.53}} { "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.0, "temperature": 269.53 }, "water": "charmm36/water.xml" }	-6035.9644	2025-01-31 07:42:25	600	5	1500	1.000000	5	['https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5EkYTG9y/2025-01-31_08-13-31/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5EjRpczo/2025-01-31_08-13-34/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5CJmAajh/2025-01-31_08-13-34/md_0_1_old.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5HbmGqZk/2025-01-31_08-13-35/md_0_1.cpt', 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5CSqSvkr/2025-01-31_08-13-36/md_0_1.cpt'] [ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5EkYTG9y/2025-01-31_08-13-31/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5EjRpczo/2025-01-31_08-13-34/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5CJmAajh/2025-01-31_08-13-34/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5HbmGqZk/2025-01-31_08-13-35/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/6tx6/5CzFiYvB/5CSqSvkr/2025-01-31_08-13-36/md_0_1.cpt" ]