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
336 466be1b8-667c-4957-8c73-29489dc743d4 6gsb 2025-01-10 11:30:24 2025-01-10 13:20:40 1 Yes No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn
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[ "5DkonMmcjFUF16S6cbgQKkBFujMNCYa5npPxgaV35qZAs1vT", "5CfkokasWmzPjjuJ7rD1juNsWqZcwhKuYq3TGX5eWk4ozfKb", "5Do45VTZNhYSonzJNmK6ZgPaW2Hu9oiWnC1A39RAdYK5bhDA", "5Fh8rbbnZrUe53eHFq4dbjYcNU4KKFuQ5bVMB6GNGVu1kUnn", "5EhxUCpuE2NGVLL5j9aAANmn6q9qVrjSmyMHfVz1UiXsD5KC", "5DUmNo3Q6gUHq2uoi7gjr7kXKyW2GX1gXPNADW9BxUcJZhTT", "5HYQvFSS4McD7GJ5YisFA13KPq9rADRTj6ogyMsxWfV7hZLD", "5GrzLRi3VFo9dwDAeu8Dv5FFeqg8z8FDcZu4uxca2xdnUiwg", "5FLh1jsyTMZzGusyoDN6Hi6EFoUtV9Mrmcv1guta8G1jEVoX", "5FqPytgKBTjSuNjvCetBXwrio3zi2eQ9KCzruFtEAgiuF5HK" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gsb/5HYk8DMK/2025-01-10_11-30-23/6gsb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gsb/5HYk8DMK/2025-01-10_11-30-23/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gsb/5HYk8DMK/2025-01-10_11-30-23/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6gsb/5HYk8DMK/2025-01-10_11-30-23/6gsb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 271.16}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 271.16 }, "water": "amber14/tip3pfb.xml" }
-32420.0547 2025-01-10 12:43:38 600 4 1500 1.000000 5
['']
[ "" ]
311 3b48ace7-5e95-48da-9661-6502c5374c71 7n87 2025-01-10 11:29:54 2025-01-10 13:12:40 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg
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[ "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5ESEfcCxpYtuhGjTWWVUmfZsuc5pPdFWeVvDGzXs12i6C7MA", "5DFuo6i7mWWSKeJHfCPXLVu5ZMiTEFXmNE7GoKxqZ9DLDFBW", "5HYkJT1SrpT981MQWm3gNXDrhkeZGY2YwFhF5tEREmMzkAXe", "5H4BcoLofQXajdtyBsTXELjxeeWtYSYa7vpvQpwMH1KoKoWM", "5HWFxVD38FedLgvWRfJs339h5dgmw7XGvSaw1MYZ6idYjZau", "5Dt44NJ1LwB9JT9EibWo65wr2cp3hB4bbsMhayvQRz1paFt5", "5Gxq2tRq2xYTtTCjBVz31KXYPouvJCJYLak3QLAo1qva5iY1", "5Grkh2U7iUo2QnFN8buDk7hSPEL91ZkWDaQPa4jVTskmVdoX", "5HgxdexnaBFU5BY2XaJcjqm6yiy7xrkG9R2v6mZnhsDyiB85" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n87/5F4tQyWr/2025-01-10_11-29-53/7n87.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n87/5F4tQyWr/2025-01-10_11-29-53/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n87/5F4tQyWr/2025-01-10_11-29-53/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7n87/5F4tQyWr/2025-01-10_11-29-53/7n87.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 371.73}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 371.73 }, "water": "amber14/tip3pfb.xml" }
-7176.1880 2025-01-10 12:19:14 600 4 1500 1.000000 5
['']
[ "" ]
335 c65a6b4b-72ee-4a84-a578-736cbddae903 2m8r 2025-01-10 11:29:06 2025-01-10 13:52:05 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy
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[ "5HdRGSwcW71DojYNfXUtiEnRGzJGuhbNErHGLfUsjHqnmnpn", "5Dnu8AtsD71rakRYzXHsWgCzUXVUxRUwBN49yZh9oBDcPJD3", "5DhPQXgotN7SgGy198KN4UbZzmMU1z5ZGQdTQHzTDVEGw4xy", "5ENZdoRqqaadyg8dBVPM8WQ1R4PDXS4SvEeaPadRaWKxMjAv", "5FBhBMLKjzrABFPcfNchWQv1JC9Pen9K4WWQbRPq4EzeC8rP", "5GutyMJ27zBdzs71Gv4MLMLTUxkrCd4WGsjqAXh8d6vSzNyt", "5CMHnFiWJC9fGotm9NTzrsn5X3wgS1z766u3cTQ9LuSpobSy", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5DfSEtHiUm9zhk4NwP2uApd3iekYq4qiTKZa1gHKwM5AMgFU", "5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m8r/5HEo565W/2025-01-10_11-29-05/2m8r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m8r/5HEo565W/2025-01-10_11-29-05/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m8r/5HEo565W/2025-01-10_11-29-05/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2m8r/5HEo565W/2025-01-10_11-29-05/2m8r.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.05, 'temperature': 374.54}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.05, "temperature": 374.54 }, "water": "amber14/tip3pfb.xml" }
-8689.7549 2025-01-10 12:41:28 600 4 1500 1.000000 5
['']
[ "" ]
334 9f956dcc-178f-46b6-ada1-ab3eb5d32183 2kkq 2025-01-10 11:28:57 2025-01-10 13:51:27 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94
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[ "5C8dR6A6afdBga8D12qLHpczr2yYjKPctotQxTm5a76kUzYX", "5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94", "5Ca47zJPJ6u1zSkUZMwauDeYfZPkwjB83r8PcHEq95Lq2sSx", "5FqPytgKBTjSuNjvCetBXwrio3zi2eQ9KCzruFtEAgiuF5HK", "5D4pv1fQhsLgQ111fMkjbxgqD69LmkTKiCXbjKwAVUM2nwpf", "5EPdShgZxXW19S6WLzbP9ZuJKGkFpaKyHgMZ83Wndfg74jtu", "5HN5q9FaM6vPwnqptbXaiLFtzd8bYa4VyNwJt96fyWgYpt1x", "5ENVJyUMWf4zrus8QtWmDBErtjrEeHunJLUKmFv3fnZpX9fw", "5FeeZzWZK7F2izEnmm4PbkvAgv2pDD3HGdyrcn4YnkAPhxtF", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kkq/5HEo565W/2025-01-10_11-28-57/2kkq.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kkq/5HEo565W/2025-01-10_11-28-57/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kkq/5HEo565W/2025-01-10_11-28-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2kkq/5HEo565W/2025-01-10_11-28-57/2kkq.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.02, 'temperature': 219.33}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.02, "temperature": 219.33 }, "water": "amber14/tip3pfb.xml" }
-5874.6978 2025-01-10 12:40:50 600 4 1500 1.000000 5
['']
[ "" ]
333 81c527cd-1fea-4365-965a-d897ac658f24 7f68 2025-01-10 11:27:33 2025-01-10 13:50:44 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn
['5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh', '5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z', '5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn', '5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM', '5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS', '5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D', '5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL', '5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE', '5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn', '5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr']
[ "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5CiGhHrnLutbz5B31UreMSW7JA1R2rZmRYfah9is7MLD9V4Z", "5CD6SYMsFyVX8NTZVsbSSMTufqhnNjHtxKQrVkHEX5AG7Dyn", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5HMrjPv6TqhSxfk9gx5XETDk8uuM7Bb2tX4fi5BzxaAQ3KyS", "5Gb5EGGAJnVUGHidvFGPApByMXsCmB936HZJ6iaw2Q81QR5D", "5DCKyeLFfApBGRfJqpo8KRdXpyp7iQ8nc74N3KWVqr9NuciL", "5GvDM9XHcVtjuLZCAdRmR4xFn8Y4ejC9nWm2pPkpim6xZHjE", "5CATsG1V2xsm6y5ka4g1aLqK4u1hFufHPkhnvbQeetxBhRCn", "5HGRgn8QbCvuG5ceYcckHEnxA7PADzgakkfWKKYsgmRPqGJr" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7f68/5HEo565W/2025-01-10_11-27-32/7f68.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7f68/5HEo565W/2025-01-10_11-27-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7f68/5HEo565W/2025-01-10_11-27-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7f68/5HEo565W/2025-01-10_11-27-32/7f68.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.96, 'temperature': 335.83}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.96, "temperature": 335.83 }, "water": "charmm36/water.xml" }
-14712.7812 2025-01-10 12:40:08 600 4 1500 1.000000 5
['']
[ "" ]
332 0ebefb51-0687-4c49-9d59-cd9b22112191 4a6c 2025-01-10 11:24:11 2025-01-10 13:48:20 1 Yes No 5HEo565WAy4Dbq3Sv271SAi7syBSofyfhhwRNjFNSM2gP9M2 5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG
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[ "5H3NbTt2gLHNenmqGery286H68pR2XQiJTP9hFrajJKmGBnX", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5FEvCEPinLRuZrvNnPjXbF2USHjmb45oiRSgAvEwm2uJXxAu", "5GrmnoWJUpZiqKgAR9rRqC641ce6Tyxe9isdRnooRpFmTm1s", "5CoEdgdk41SpWHo3wsQS1YB4jzgJdYnvZzg4qMeD4n22rRaG", "5HTd9ESD5MU4fdSmfzPK7YQF1ufcF4ni3Y38YcksCukFMWHt", "5HdfzvTFxvF8cbbKNjdaG9SeTir9Luo4JQE2XMEGifLpGeKz", "5E9MuDUbXDmE9JoZym7F64DDMsE2dBBmWeb2VMMyBrqBdNpz", "5EDE2v2fzqx3iKkv37VYgdL98gHt2qWmXqoQrjrTCppvBiDK", "5HjbTouua6w8dUazMELtD8FbKE1cPrKJLbvH2Zmni55bxXmu" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6c/5HEo565W/2025-01-10_11-24-10/4a6c.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6c/5HEo565W/2025-01-10_11-24-10/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6c/5HEo565W/2025-01-10_11-24-10/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4a6c/5HEo565W/2025-01-10_11-24-10/4a6c.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 242.7}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.91, "temperature": 242.7 }, "water": "charmm36/water.xml" }
-8552.0332 2025-01-10 12:37:27 600 4 1500 1.000000 5
['']
[ "" ]
331 e688a517-d39e-4350-aebe-a0d79e660563 1gae 2025-01-10 11:18:59 2025-01-10 13:04:34 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5Gdn7dSRMkjt6MgXPXmVQUxPmovoGvMqYjDMcYUEZrcMGrKg
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gae/5Cg5QgjM/2025-01-10_11-18-57/1gae.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gae/5Cg5QgjM/2025-01-10_11-18-57/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gae/5Cg5QgjM/2025-01-10_11-18-57/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1gae/5Cg5QgjM/2025-01-10_11-18-57/1gae.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.92, 'temperature': 338.42}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.92, "temperature": 338.42 }, "water": "amber14/tip3pfb.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5GpYkazm/2025-01-10_13-04-41/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5DjsaHfv/2025-01-10_13-04-44/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5G9K3aZm/2025-01-10_13-04-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5DJ6gt2p/2025-01-10_13-04-46/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5C4xDki7/2025-01-10_13-04-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5G9u1Nxk/2025-01-10_13-04-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5H6J7uS1/2025-01-10_13-04-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5Gdn7dSR/2025-01-10_13-04-47/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5CZtKjxZ/2025-01-10_13-04-48/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1gae/5Cg5QgjM/5DAAjjm6/2025-01-10_13-04-48/md_0_1.cpt" ]
330 c76954bf-b714-48ad-a544-f61acceb7ff0 7y4b 2025-01-10 11:14:38 2025-01-10 12:54:20 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5C4xDki7HQjyeKMrgfZjUTNwrPx6o55wtgJbFAA3V9vuF227
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7y4b/5F2CsUDV/2025-01-10_11-14-36/7y4b.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7y4b/5F2CsUDV/2025-01-10_11-14-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7y4b/5F2CsUDV/2025-01-10_11-14-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/7y4b/5F2CsUDV/2025-01-10_11-14-36/7y4b.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 219.08}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 0.99, "temperature": 219.08 }, "water": "charmm36/water.xml" }
-20691.9805 2025-01-10 11:57:23 600 4 1500 1.000000 5
['']
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329 957334ec-b045-410b-9919-930d44d8e5f1 1j9i 2025-01-10 11:14:33 2025-01-10 12:31:46 1 Yes No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5DndzPQRqo7m6ZXRR7QhPQ5BZQPZmpBfpEU6Cd5atW4YRp94
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j9i/5FFApaS7/2025-01-10_11-14-32/1j9i.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j9i/5FFApaS7/2025-01-10_11-14-32/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j9i/5FFApaS7/2025-01-10_11-14-32/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1j9i/5FFApaS7/2025-01-10_11-14-32/1j9i.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 391.81}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.06, "temperature": 391.81 }, "water": "charmm36/water.xml" }
-14044.4580 2025-01-10 11:50:32 600 4 1500 1.000000 5
['']
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328 352de15c-6094-47ca-b12f-37d77cceb218 5co9 2025-01-10 11:07:13 2025-01-10 12:30:12 1 Yes No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5FFFNMincUahXVXHJdt1oP197NHAP3okufMqx23hKxdevSm9
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5co9/5FFApaS7/2025-01-10_11-07-12/5co9.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5co9/5FFApaS7/2025-01-10_11-07-12/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5co9/5FFApaS7/2025-01-10_11-07-12/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/5co9/5FFApaS7/2025-01-10_11-07-12/5co9.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.09, 'temperature': 316.3}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.09, "temperature": 316.3 }, "water": "charmm36/water.xml" }
-2360.7700 2025-01-10 11:48:47 600 4 1500 1.000000 5
['']
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327 1c0f677b-46d6-4b67-b370-1cc45e3b94fb 6v06 2025-01-10 11:06:38 2025-01-10 12:51:24 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5GEhtD5BkDSnm1kRY9UvzS5Eoa1yLj5hEg94cT6LCZzdF4CC
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6v06/5F2CsUDV/2025-01-10_11-06-36/6v06.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6v06/5F2CsUDV/2025-01-10_11-06-36/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6v06/5F2CsUDV/2025-01-10_11-06-36/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6v06/5F2CsUDV/2025-01-10_11-06-36/6v06.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.94, 'temperature': 263.41}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.94, "temperature": 263.41 }, "water": "amber14/tip3pfb.xml" }
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['']
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326 8a36a5a9-22d4-4fc5-bcf6-d0bfb5c6c3a4 2h9r 2025-01-10 11:01:38 2025-01-10 12:28:12 1 Yes No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2
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[ "5FqatghHTSnbtwBTsRAYedFQ11GXXQRRFYuGejgb8LMaS4Sg", "5EcntL3eSn73LdAP3SHqH8iCQKVVboibphuTwFRRrStvo3Qd", "5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM", "5DncSbVE2RWiuh9G2Nj5DwYQb7Caaf5BFasyjeJjtpWxS5og", "5G6mzcBYDjHP6uF36bFR3srpeSoCkstDYE6NRo6aCFtGd6k2", "5DAAjjm6Etic694238BZqYt3AhgoAgbwDhRnB1VGH5vyp4RG", "5CaUeYYYSb9bXTdFxurAqYXVPuThZhManVBohHnQGVjLQwAz", "5GsSM359bwgV1tpzTPP9zGyKb4Pn4kVDVFrQudCc5GA6bNa6", "5CchUy6WjNF3NMTKNAuTMH3TuZAX5KCz63BHqzpabKFubxw1", "5GbrDsYKZcPM97J1xg6RFoFfN9YzNb7q9ucmaGzCsnMr9Apm" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h9r/5FFApaS7/2025-01-10_11-01-37/2h9r.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h9r/5FFApaS7/2025-01-10_11-01-37/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h9r/5FFApaS7/2025-01-10_11-01-37/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2h9r/5FFApaS7/2025-01-10_11-01-37/2h9r.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.04, 'temperature': 330.4}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.04, "temperature": 330.4 }, "water": "charmm36/water.xml" }
-10943.0176 2025-01-10 11:46:51 600 4 1500 1.000000 5
['']
[ "" ]
325 d41aa33d-4bdc-4b71-9196-2ca00a201c78 4lp4 2025-01-10 11:01:11 2025-01-10 12:50:18 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ
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[ "5F4Vi7rwhbnRqogNs3wtW9bhZCL4i5g9picjHNtNd6Xxun3B", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ", "5EkYTG9y1eBvJbLXcUvAYUneGtgpivBPZ7GUbiVkpsjy7sgL", "5HpvMUZGCNUeoQx8h5XS73VUNLqj9jn4MJGZXPya5m2eNSXP", "5Fs1deFxQ994cp3YjcPKbR8k8pSqCE4cTvEXFzuzqwGksHat", "5G6Xz3qdhVnTrEaZWbP7zW3QVXBFtoa5sKp7x3ME43dhwLWV", "5CY9apyj5cHppfGwpBZ6pVakjDDvekKZC4tt8sLcZ2WxZVSh", "5HNjFXXTfJFPcN2NjK5216J1RDDyZ6sRbMxxeVVeU4TRoL4c" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lp4/5F2CsUDV/2025-01-10_11-01-09/4lp4.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lp4/5F2CsUDV/2025-01-10_11-01-09/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lp4/5F2CsUDV/2025-01-10_11-01-09/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/4lp4/5F2CsUDV/2025-01-10_11-01-09/4lp4.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.99, 'temperature': 341.62}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.99, "temperature": 341.62 }, "water": "amber14/tip3pfb.xml" }
-26332.0938 2025-01-10 11:52:49 600 4 1500 1.000000 5
['']
[ "" ]
299 a773c94f-e632-474b-a4c5-73ed614cddc2 1ick 2025-01-10 10:58:35 2025-01-10 12:32:49 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH
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[ "5FWYXGNxJ2wKv7UW1vLWmToHadbgqNpX9W5st662UuBUp6dG", "5CcabLoxubDLBP7aof5VGNf7T3FZCD7akPDVURjsTTdF2zkR", "5CkkTeB4hhYYiaBThqCZ91LE687PMSW9P4TukNVRAJ1EwRrC", "5FkBB721kTgb31wTbzC4fu8ZnqFqEhqWV8yQrYwwBdbk6Zss", "5CaPMXwr3fARNARUkao93b6d3zMacaVVYs4UFBykTUhjQo3c", "5H1W8b4qmtVkDJsc3DB1jd1VoNWFUtSvzoLBDihUFEg7rh3s", "5Ejk7zFvje79uJ491tUK1ZdYHSv55ejT5i3VxWaUT9g4L2K6", "5HpDuDJbwWYw9qcTe7NrrZsyEkHyD6H1H9mNHS8vwGHpwcAr", "5FvepbgL5C4rs4JyCW9gr4oRGAt6exhRmB3sC5WtJqHH2qRH", "5Gy8GULqeaHCkjyZzWFk1XDL3FpP6vQeC6bvk4dAbMg22viQ" ]
{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ick/5F4tQyWr/2025-01-10_10-58-34/1ick.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ick/5F4tQyWr/2025-01-10_10-58-34/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ick/5F4tQyWr/2025-01-10_10-58-34/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1ick/5F4tQyWr/2025-01-10_10-58-34/1ick.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.9, 'temperature': 302.08}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.9, "temperature": 302.08 }, "water": "amber14/tip3pfb.xml" }
-5440.1167 2025-01-10 12:03:59 600 4 1500 1.000000 5
['']
[ "" ]
324 84977ab8-f56d-45c1-86bf-146ee0048508 2mmb 2025-01-10 10:58:15 2025-01-10 12:59:28 1 Yes No 5HYk8DMKWK8TJyPzZJ9vmZk7B5NPCgjnZoyZ1ZsB54RXdN47 5GH6U3JX9qBHGmBWisPhTHxYtGK9A8VACh8TV8cwyoi8CVcU
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mmb/5HYk8DMK/2025-01-10_10-58-14/2mmb.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mmb/5HYk8DMK/2025-01-10_10-58-14/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mmb/5HYk8DMK/2025-01-10_10-58-14/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/2mmb/5HYk8DMK/2025-01-10_10-58-14/2mmb.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.91, 'temperature': 375.25}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.91, "temperature": 375.25 }, "water": "amber14/tip3pfb.xml" }
-11826.6270 2025-01-10 12:26:47 600 4 1500 1.000000 5
['']
[ "" ]
323 80da67a7-4654-4296-ab4c-d3352b559d6e 6wc6 2025-01-10 10:54:35 2025-01-10 12:48:46 1 Yes No 5F2CsUDVbRbVMXTh9fAzF9GacjVX7UapvRxidrxe7z8BYckQ 5HmPydX6WutoPFYmPoHXxNuLRoa4xhZos3TWUWLGbNUiY1rD
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wc6/5F2CsUDV/2025-01-10_10-54-33/6wc6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wc6/5F2CsUDV/2025-01-10_10-54-33/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wc6/5F2CsUDV/2025-01-10_10-54-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/6wc6/5F2CsUDV/2025-01-10_10-54-33/6wc6.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.06, 'temperature': 329.64}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.06, "temperature": 329.64 }, "water": "amber14/tip3pfb.xml" }
-74581.8125 2025-01-10 11:51:10 600 4 1500 1.000000 5
['']
[ "" ]
322 a2de8913-4285-478f-9777-d38f459662af 1bqx 2025-01-10 10:54:34 2025-01-10 12:26:08 1 Yes No 5FFApaS75bv5pJHfAp2FVLBj9ZaXuFDjEypsaBNc1wCfe52v 5Eo36DdG1miB2XkteYfqaDsRxp3YHVGSkimXoL7hYoBttNTr
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqx/5FFApaS7/2025-01-10_10-54-33/1bqx.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqx/5FFApaS7/2025-01-10_10-54-33/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqx/5FFApaS7/2025-01-10_10-54-33/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1bqx/5FFApaS7/2025-01-10_10-54-33/1bqx.pdb" }
{'ff': 'amber14/protein.ff15ipq.xml', 'box': 'octahedron', 'water': 'amber14/opc3.xml', 'system_kwargs': {'friction': 1.01, 'temperature': 348.48}}
{ "box": "octahedron", "ff": "amber14/protein.ff15ipq.xml", "system_kwargs": { "friction": 1.01, "temperature": 348.48 }, "water": "amber14/opc3.xml" }
-6569.1660 2025-01-10 11:45:16 600 4 1500 1.000000 5
['']
[ "" ]
321 81ab6a86-3020-45f4-a1e5-58fce5e5fc0a 1v5f 2025-01-10 10:53:52 2025-01-10 13:01:57 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GGb3rhZp7pMnViqeSJMwYeXbfpoeYbZmnBu5bCyDMcYwybM
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5f/5Cg5QgjM/2025-01-10_10-53-50/1v5f.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5f/5Cg5QgjM/2025-01-10_10-53-50/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5f/5Cg5QgjM/2025-01-10_10-53-50/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1v5f/5Cg5QgjM/2025-01-10_10-53-50/1v5f.pdb" }
{'ff': 'charmm36.xml', 'box': 'cube', 'water': 'charmm36/water.xml', 'system_kwargs': {'friction': 1.1, 'temperature': 242.56}}
{ "box": "cube", "ff": "charmm36.xml", "system_kwargs": { "friction": 1.1, "temperature": 242.56 }, "water": "charmm36/water.xml" }
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5GeFCh4z/2025-01-10_13-02-04/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5HYVRNRE/2025-01-10_13-02-14/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5HpvMUZG/2025-01-10_13-02-15/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5EnT7oy4/2025-01-10_13-02-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5C8dR6A6/2025-01-10_13-02-16/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5GxgkVRW/2025-01-10_13-02-16/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5FLh1jsy/2025-01-10_13-02-17/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5GGb3rhZ/2025-01-10_13-02-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5CiGhHrn/2025-01-10_13-02-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1v5f/5Cg5QgjM/5FFZBVP6/2025-01-10_13-02-17/md_0_1.cpt" ]
295 2798ffa0-cb9c-4470-9066-a861b78e096f 1uo6 2025-01-10 10:53:29 2025-01-10 12:32:26 1 Yes No 5F4tQyWrhfGVcNhoqeiNsR6KjD4wMZ2kfhLj4oHYuyHbZAc3 5DwDNtqhUofdKz13NwpGBcdwz3PtyXDSLsRCLRzzErimCm4Y
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uo6/5F4tQyWr/2025-01-10_10-53-28/1uo6.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uo6/5F4tQyWr/2025-01-10_10-53-28/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uo6/5F4tQyWr/2025-01-10_10-53-28/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1uo6/5F4tQyWr/2025-01-10_10-53-28/1uo6.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 0.97, 'temperature': 385.5}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 0.97, "temperature": 385.5 }, "water": "amber14/tip3pfb.xml" }
-19752.8555 2025-01-10 12:03:04 600 4 1500 1.000000 5
['']
[ "" ]
319 a7b10a3a-2e9b-4db7-b0d5-59378d60cabc 1aye 2025-01-10 10:51:45 2025-01-10 12:41:11 1 No No 5Cg5QgjMfRqBC6bh8X4PDbQi7UzVRn9eyWXsB8gkyfppFPPy 5GbtQBrzRAzXfN4n3xt9fugcUMTM7R161K5kjfbDbUeiB5Vo
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{'pdb': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aye/5Cg5QgjM/2025-01-10_10-51-43/1aye.pdb', 'cpt': 'https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aye/5Cg5QgjM/2025-01-10_10-51-43/em.cpt'}
{ "cpt": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aye/5Cg5QgjM/2025-01-10_10-51-43/em.cpt", "pdb": "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/inputs/1aye/5Cg5QgjM/2025-01-10_10-51-43/1aye.pdb" }
{'ff': 'amber14-all.xml', 'box': 'cube', 'water': 'amber14/tip3pfb.xml', 'system_kwargs': {'friction': 1.07, 'temperature': 296.12}}
{ "box": "cube", "ff": "amber14-all.xml", "system_kwargs": { "friction": 1.07, "temperature": 296.12 }, "water": "amber14/tip3pfb.xml" }
-29805.4883 2025-01-10 11:45:57 600 5 1500 1.000000 5
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[ "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5C5mW9ze/2025-01-10_12-41-17/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5Dt44NJ1/2025-01-10_12-41-19/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5CaUeYYY/2025-01-10_12-41-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5GutyMJ2/2025-01-10_12-41-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5DCKyeLF/2025-01-10_12-41-20/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5Gseg5jc/2025-01-10_12-41-20/md_0_1_old.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5GbtQBrz/2025-01-10_12-41-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5Ehbkz6k/2025-01-10_12-41-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5CATsG1V/2025-01-10_12-41-21/md_0_1.cpt", "https://nyc3.digitaloceanspaces.com/vali-s3-demo-do/outputs/1aye/5Cg5QgjM/5H4BcoLo/2025-01-10_12-41-22/md_0_1.cpt" ]
Showing items 14841 to 14860 of 15172 entries