| { |
| "format": "oscr-script-manifest/1", |
| "repository": "github.com/alisiafadini/rocket", |
| "url": "https://github.com/alisiafadini/ROCKET", |
| "host": "github.com", |
| "commit": "e5e2d1568ab81eb0249280c9f6e6b1e8af7ba26c", |
| "license": "Apache-2.0", |
| "license_confirmed_by": "license file LICENSE", |
| "redistribution": "yes", |
| "files": [ |
| { |
| "path": "LICENSE", |
| "sha256": "c71d239df91726fc519c6eb72d318ec65820627232b2f796219e87dcf35d0ab4", |
| "language": "License", |
| "lines": 201, |
| "truncated": false, |
| "block": 1, |
| "row": 2216 |
| }, |
| { |
| "path": "README.md", |
| "sha256": "6f41b397b6fb6ecade9606a6c80eee73b909e7bfd3711cc7a380629a5c1cf8a2", |
| "language": "Text", |
| "lines": 60, |
| "truncated": false, |
| "block": 8, |
| "row": 10040 |
| }, |
| { |
| "path": "notebooks/RSCC_plot.ipynb", |
| "sha256": "c7325d99e93a6984a1c020bf83ef318e59217bae580c2eb65f6ceddbbb06818d", |
| "language": "Jupyter", |
| "lines": 2, |
| "truncated": false, |
| "block": 3, |
| "row": 7034 |
| }, |
| { |
| "path": "rocket/__init__.py", |
| "sha256": "1d8f68c39ca1c55baa67d9c136a6d6aa3b4b4fb73e2b6a2bb24779f7d1abcadf", |
| "language": "Python", |
| "lines": 30, |
| "truncated": false, |
| "block": 6, |
| "row": 24639 |
| }, |
| { |
| "path": "rocket/base.py", |
| "sha256": "24bd4e9893b182e934646c22154268c2893b72ba5320c08e16624876993b26ec", |
| "language": "Python", |
| "lines": 159, |
| "truncated": false, |
| "block": 6, |
| "row": 41324 |
| }, |
| { |
| "path": "rocket/coordinates.py", |
| "sha256": "b9639f38200a3b8c046ead399bc2099bf3228d50b23d35e4e353aedccda8d2b4", |
| "language": "Python", |
| "lines": 1039, |
| "truncated": false, |
| "block": 7, |
| "row": 10988 |
| }, |
| { |
| "path": "rocket/cryo/structurefactors.py", |
| "sha256": "a91fc73d6d39a0cb48f3ed344e4a407f8c1647a09d98dc0cf8a3e90cd212b893", |
| "language": "Python", |
| "lines": 56, |
| "truncated": false, |
| "block": 6, |
| "row": 29906 |
| }, |
| { |
| "path": "rocket/cryo/targets.py", |
| "sha256": "59d1e721acebf756f7968d14eb3c024f86e6f62def5794ffd650965ef6e8eada", |
| "language": "Python", |
| "lines": 238, |
| "truncated": false, |
| "block": 7, |
| "row": 497 |
| }, |
| { |
| "path": "rocket/cryo/utils.py", |
| "sha256": "e982483404e77f92123c21dcef4e1f1e038c81fca463b986a7b1d6f63d5e1087", |
| "language": "Python", |
| "lines": 237, |
| "truncated": false, |
| "block": 6, |
| "row": 45187 |
| }, |
| { |
| "path": "rocket/helper.py", |
| "sha256": "56886305f4d41dc27b3ba300e477530d80a866f14d9e76784f3b7bfb8f80ca2f", |
| "language": "Python", |
| "lines": 177, |
| "truncated": false, |
| "block": 6, |
| "row": 43525 |
| }, |
| { |
| "path": "rocket/msa_cluster.py", |
| "sha256": "e17af30854cada419f94977456eb7fe9e9181ff68bc334f40b444429254b2801", |
| "language": "Python", |
| "lines": 280, |
| "truncated": false, |
| "block": 7, |
| "row": 2110 |
| }, |
| { |
| "path": "rocket/msa_score.py", |
| "sha256": "de34d1aef25587ba25c227050a4d2caaff04c838e537b887d3fc66a71e22d5f0", |
| "language": "Python", |
| "lines": 388, |
| "truncated": false, |
| "block": 7, |
| "row": 5666 |
| }, |
| { |
| "path": "rocket/msacluster_utils.py", |
| "sha256": "63cce20265bdbca97730f49932de9929caf8e28a5eb1727778a59169d2c82f05", |
| "language": "Python", |
| "lines": 108, |
| "truncated": false, |
| "block": 6, |
| "row": 37156 |
| }, |
| { |
| "path": "rocket/mse.py", |
| "sha256": "87a1807cdcf643cf92cad09fa662cf8cd327c738e1ea1ba19a406b8bba6cdf99", |
| "language": "Python", |
| "lines": 96, |
| "truncated": false, |
| "block": 6, |
| "row": 35480 |
| }, |
| { |
| "path": "rocket/refinement_config.py", |
| "sha256": "28beeacbf16075149d73841e5dcd8af9a26e88d10ce43ff198b156a0975de48a", |
| "language": "Python", |
| "lines": 422, |
| "truncated": false, |
| "block": 7, |
| "row": 6359 |
| }, |
| { |
| "path": "rocket/refinement_cryoem.py", |
| "sha256": "a2e453fc67a51508b262596273d1d84b0eb565fe32044158d3fe987867ddcfba", |
| "language": "Python", |
| "lines": 711, |
| "truncated": false, |
| "block": 7, |
| "row": 10245 |
| }, |
| { |
| "path": "rocket/refinement_mse.py", |
| "sha256": "d6de018c145262f9333cdd9122e14234a92d559f36ba551bcf15bc624f680018", |
| "language": "Python", |
| "lines": 322, |
| "truncated": false, |
| "block": 7, |
| "row": 3546 |
| }, |
| { |
| "path": "rocket/refinement_utils.py", |
| "sha256": "2222179525993aba51a3953953d82416f0fdb7e73644ac5f7e95a73c03f92b34", |
| "language": "Python", |
| "lines": 479, |
| "truncated": false, |
| "block": 7, |
| "row": 6636 |
| }, |
| { |
| "path": "rocket/refinement_xray.py", |
| "sha256": "1e5336ad871efe64868596cc6515b6c510fb76a07836b4d16f5b38dd1ce0625c", |
| "language": "Python", |
| "lines": 873, |
| "truncated": false, |
| "block": 7, |
| "row": 11062 |
| }, |
| { |
| "path": "rocket/scripts/archived_scripts/run_mse.py", |
| "sha256": "ee259d63f5b423263db4725c34b4b6e7254d83ad211655be263207b833fddc18", |
| "language": "Python", |
| "lines": 139, |
| "truncated": false, |
| "block": 6, |
| "row": 36555 |
| }, |
| { |
| "path": "rocket/scripts/archived_scripts/run_phase1.py", |
| "sha256": "e68b290ff1260dd5df8fc7e8ee61a794cc5821eb173ae3026bbde8c9d60f9d08", |
| "language": "Python", |
| "lines": 318, |
| "truncated": false, |
| "block": 7, |
| "row": 1227 |
| }, |
| { |
| "path": "rocket/scripts/archived_scripts/run_phase1andphase2.py", |
| "sha256": "75fa0784a4033060bb3ca676151c060ee4131d35b6d396a06f698494c150f4c6", |
| "language": "Python", |
| "lines": 507, |
| "truncated": false, |
| "block": 7, |
| "row": 6578 |
| }, |
| { |
| "path": "rocket/scripts/archived_scripts/run_plddtoptimize.py", |
| "sha256": "032c65b24937ec4371af6d913a664a7f318e0270f9099bf66546e15bf9f4fe30", |
| "language": "Python", |
| "lines": 404, |
| "truncated": false, |
| "block": 7, |
| "row": 4780 |
| }, |
| { |
| "path": "rocket/scripts/run_config.py", |
| "sha256": "d0b8b92e6596f4582617ae976ede369b68fae3ea65a76bdcebad63683961d9a2", |
| "language": "Python", |
| "lines": 90, |
| "truncated": false, |
| "block": 6, |
| "row": 35898 |
| }, |
| { |
| "path": "rocket/scripts/run_msacluster.py", |
| "sha256": "7cebe640aa759c36b8484bcac7b4e5da1035c1e460b95d8a5792cb1365cdf89b", |
| "language": "Python", |
| "lines": 134, |
| "truncated": false, |
| "block": 6, |
| "row": 37979 |
| }, |
| { |
| "path": "rocket/scripts/run_msascore.py", |
| "sha256": "cab1c4d697f0b8d00710b148d63589227d2bb0382e60644bc3cca8438e18097a", |
| "language": "Python", |
| "lines": 106, |
| "truncated": false, |
| "block": 6, |
| "row": 36432 |
| }, |
| { |
| "path": "rocket/scripts/run_preprocess.py", |
| "sha256": "6bd06e66c39354f171875fca5d6306a3d4fa72762bf02f68e614deb554e21f48", |
| "language": "Python", |
| "lines": 540, |
| "truncated": false, |
| "block": 7, |
| "row": 8410 |
| }, |
| { |
| "path": "rocket/scripts/run_pretrained_openfold.py", |
| "sha256": "d3e389e4068ff73c90ba2a6c5ac8160d57a5077f180c8fba0f9b8129e905c914", |
| "language": "Python", |
| "lines": 562, |
| "truncated": false, |
| "block": 7, |
| "row": 8880 |
| }, |
| { |
| "path": "rocket/scripts/run_refine.py", |
| "sha256": "941552da18ec3ee2bb9b0e5bd75cf1ab67d849983467e191ecbb6f98cca6eb81", |
| "language": "Python", |
| "lines": 22, |
| "truncated": false, |
| "block": 6, |
| "row": 24208 |
| }, |
| { |
| "path": "rocket/utils.py", |
| "sha256": "9182bee0c669e96466e577b01acd91f6eebb62b15e7b3881d1ce4329c08fdea8", |
| "language": "Python", |
| "lines": 388, |
| "truncated": false, |
| "block": 7, |
| "row": 5180 |
| }, |
| { |
| "path": "rocket/wandb_logger.py", |
| "sha256": "a10b9596ab8e08fc320a4bbb3366ee089db4237425dafc57f788669c5a698dbd", |
| "language": "Python", |
| "lines": 308, |
| "truncated": false, |
| "block": 7, |
| "row": 3573 |
| }, |
| { |
| "path": "rocket/xtal/__init__.py", |
| "sha256": "34510c0690a71453bd3d8073cb5f66c95d7a446294dbe37435fb42590d2ef308", |
| "language": "Python", |
| "lines": 3, |
| "truncated": false, |
| "block": 6, |
| "row": 20676 |
| }, |
| { |
| "path": "rocket/xtal/structurefactors.py", |
| "sha256": "0fd9c159f21f8bf62dafc5b4a50240311fb850f237fd37d4ee4b891bcacc583c", |
| "language": "Python", |
| "lines": 116, |
| "truncated": false, |
| "block": 6, |
| "row": 36983 |
| }, |
| { |
| "path": "rocket/xtal/targets.py", |
| "sha256": "4824b6f41312e3af93d5e4ee280ad68211f4b55ea2f1a46b251ebc26398d5b18", |
| "language": "Python", |
| "lines": 433, |
| "truncated": false, |
| "block": 7, |
| "row": 7023 |
| }, |
| { |
| "path": "rocket/xtal/utils.py", |
| "sha256": "6a12c2bdd1f02c3b4cd316c18fdcf789a30f4c89689f19c93cdcf1a94c6647ee", |
| "language": "Python", |
| "lines": 484, |
| "truncated": false, |
| "block": 7, |
| "row": 5910 |
| }, |
| { |
| "path": "test/conftest.py", |
| "sha256": "214afa46e6f251276958444b217a797b55f670839689b30018b20efb7473abea", |
| "language": "Python", |
| "lines": 17, |
| "truncated": false, |
| "block": 6, |
| "row": 21931 |
| }, |
| { |
| "path": "test/unit/test_coordinates.py", |
| "sha256": "20630ecbadfa701efb745f1b97fb08fef36337943382e38e626670ca5a348c6f", |
| "language": "Python", |
| "lines": 1277, |
| "truncated": false, |
| "block": 7, |
| "row": 11763 |
| }, |
| { |
| "path": "test/unit/test_cryo_structurefactors.py", |
| "sha256": "4ecd584375818fbf80648179d53e8a2367fc373a49ab7217868a59cd47068138", |
| "language": "Python", |
| "lines": 81, |
| "truncated": false, |
| "block": 6, |
| "row": 34074 |
| }, |
| { |
| "path": "test/unit/test_cryo_utils.py", |
| "sha256": "e611c452e9ea057816e8985a967ff5305d0b76c937cb3ea124292f2b1ae2078e", |
| "language": "Python", |
| "lines": 190, |
| "truncated": false, |
| "block": 6, |
| "row": 43002 |
| }, |
| { |
| "path": "test/unit/test_refinement_utils.py", |
| "sha256": "b8dba7c4980522c478ea5084eb68bfbd9b58b87d608981ab1ac09bd5fa62612a", |
| "language": "Python", |
| "lines": 806, |
| "truncated": false, |
| "block": 7, |
| "row": 10322 |
| }, |
| { |
| "path": "test/unit/test_utils.py", |
| "sha256": "ae7149cfe954cb72a21ff69dce2d74e687da37f75c67fcb7a26d3e1a61f14d56", |
| "language": "Python", |
| "lines": 267, |
| "truncated": false, |
| "block": 6, |
| "row": 45373 |
| }, |
| { |
| "path": "test/unit/test_xtal_structurefactors.py", |
| "sha256": "c1358e8be08dcd1a398a722a41ebd39564aa5561c3be1cf82bde0c509f1d7591", |
| "language": "Python", |
| "lines": 227, |
| "truncated": false, |
| "block": 6, |
| "row": 44681 |
| }, |
| { |
| "path": "test/unit/test_xtal_utils.py", |
| "sha256": "e4e5673bb27e2216ba073216ff755b7e8c46dd000fd96ea361d50a0fcc2383c7", |
| "language": "Python", |
| "lines": 178, |
| "truncated": false, |
| "block": 6, |
| "row": 41396 |
| } |
| ] |
| } |
