OpenScientificCodeRegistry/Database
Open Scientific Code Registry (OSCR): the authors' scripts The code published by the authors of open-access neuroscience papers, as found and verified by Open Scientific Code Registry (OSCR). Each file is here exactly as it is at the source, at the verified commit, under the license of its repository. 421,275 unique files (3,782 MB of text) from 8,849 repositories, in 24 Parquet block(s). Only files whose repository's license allows redistribution, confirmed by the repository's… See the full description on the dataset page: https://huggingface.co/datasets/OpenScientificCodeRegistry/Database.
05.6k
1{2 "format": "oscr-script-manifest/1",3 "repository": "github.com/general-molecular-simulations/so3lr",4 "url": "https://github.com/general-molecular-simulations/so3lr",5 "host": "github.com",6 "commit": "5c6f36914bd2424563c1fd80bc21610960d947a4",7 "license": "MIT",8 "license_confirmed_by": "license file LICENSE",9 "redistribution": "yes",10 "files": [11 {12 "path": "LICENSE",13 "sha256": "eb8fe3ec2923498634e929b11126a4d49be962b5c454189196fc11647282cf6f",14 "language": "License",15 "lines": 21,16 "truncated": false,17 "block": 20,18 "row": 871819 },20 {21 "path": "README.md",22 "sha256": "762ceba11a87efdfa8f5401d479bddbcbb2fe6030d35819d08e4b80ad7f49d1a",23 "language": "Text",24 "lines": 336,25 "truncated": false,26 "block": 21,27 "row": 325728 },29 {30 "path": "examples/evaluate_so3lr_on_dataset.ipynb",31 "sha256": "b81d384d66d5ae992029564394a78fabab6b36d6526748b07b617055709ae308",32 "language": "Jupyter",33 "lines": 162,34 "truncated": false,35 "block": 20,36 "row": 798737 },38 {39 "path": "examples/npt_jaxmd.ipynb",40 "sha256": "bed16b3c2f52517a67cb3b31ca9a162e6939da183c98931a243d1a518f0665c1",41 "language": "Jupyter",42 "lines": 443,43 "truncated": false,44 "block": 20,45 "row": 838146 },47 {48 "path": "examples/nvt_jaxmd.ipynb",49 "sha256": "ef4ea2a6d0d2feb0ae4e604575cb8246be2082eca2808c5ce7d8fe5c93202821",50 "language": "Jupyter",51 "lines": 374,52 "truncated": false,53 "block": 20,54 "row": 825555 },56 {57 "path": "examples/production_run.ipynb",58 "sha256": "267026883d0b2f4104cfe71eff4dba0b93dd173ac391b7966b641b45796f8b89",59 "language": "Jupyter",60 "lines": 458,61 "truncated": false,62 "block": 20,63 "row": 837964 },65 {66 "path": "examples/so3lr_colab_example.ipynb",67 "sha256": "226867f1fededc785a22338e148e2a5d2940ce76118337401daf80c702bcaece",68 "language": "Jupyter",69 "lines": 541,70 "truncated": false,71 "block": 20,72 "row": 845173 },74 {75 "path": "so3lr/__init__.py",76 "sha256": "c4cb941327d55b9eed1e5f678476fd3a8556718f2ad06a2a6cc713e63fb79c5a",77 "language": "Python",78 "lines": 7,79 "truncated": false,80 "block": 20,81 "row": 1274282 },83 {84 "path": "so3lr/ase_utils.py",85 "sha256": "e3e4bf4e60f1af999416664c1d8f30d7627284ff17acf7f7ec70092e0b0828e9",86 "language": "Python",87 "lines": 28,88 "truncated": false,89 "block": 20,90 "row": 1378991 },92 {93 "path": "so3lr/base_calculator.py",94 "sha256": "eca7b1664d24b2cd2d839b6ac402fea5e5cdc9753909916ec0d866c673297490",95 "language": "Python",96 "lines": 124,97 "truncated": false,98 "block": 20,99 "row": 17771100 },101 {102 "path": "so3lr/cli/so3lr_cli.py",103 "sha256": "8257e2d82207899ab3fe87043efa0827947c8769ae1934f62ab913c6e66e0d52",104 "language": "Python",105 "lines": 2041,106 "truncated": false,107 "block": 21,108 "row": 499109 },110 {111 "path": "so3lr/cli/so3lr_eval.py",112 "sha256": "6235191ae0d3ff644f5d5923f0fea74fddde961357c74fd54bc68d99f0a61e4e",113 "language": "Python",114 "lines": 468,115 "truncated": false,116 "block": 20,117 "row": 21203118 },119 {120 "path": "so3lr/cli/so3lr_finetune.py",121 "sha256": "7121e6c86778d5cb7ff9defbd51545145b2585924102d58e790c16e91172721e",122 "language": "Python",123 "lines": 83,124 "truncated": false,125 "block": 20,126 "row": 16310127 },128 {129 "path": "so3lr/cli/so3lr_md.py",130 "sha256": "dab3ff7183bcec6f93110d5c1bcecd65610f809f3c422512a773b23d717382f1",131 "language": "Python",132 "lines": 2501,133 "truncated": false,134 "block": 21,135 "row": 483136 },137 {138 "path": "so3lr/cli/tune_ewald.py",139 "sha256": "57e5d3c273fa0298971bdab22fba285efc7229d503f718b2014dd6c19171bbdb",140 "language": "Python",141 "lines": 1386,142 "truncated": false,143 "block": 21,144 "row": 369145 },146 {147 "path": "so3lr/graph.py",148 "sha256": "9f9c73120188f4c6da27d100e4aad347905ecbc5b66dbc122d0619c8f8d5e8a1",149 "language": "Python",150 "lines": 36,151 "truncated": false,152 "block": 20,153 "row": 14460154 },155 {156 "path": "so3lr/jaxmd_utils.py",157 "sha256": "18c4b072ba81fd3c09962728aed128deeff6588aa9354219d097f95e414f09bd",158 "language": "Python",159 "lines": 144,160 "truncated": false,161 "block": 20,162 "row": 18154163 },164 {165 "path": "so3lr/jraph_utils.py",166 "sha256": "e4b1c0e3258bc588b38723d7a5209f0a7df4da612ce3a54b2e951ee6ed8c2055",167 "language": "Python",168 "lines": 137,169 "truncated": false,170 "block": 20,171 "row": 18575172 },173 {174 "path": "so3lr/potential.py",175 "sha256": "6d89401f217fe7496923a9b1df8ee73a1be62ebb923b45461d22c838acd627dc",176 "language": "Python",177 "lines": 29,178 "truncated": false,179 "block": 20,180 "row": 14004181 },182 {183 "path": "so3lr/prepare_dimer_xyz.py",184 "sha256": "17e27cdfef99d742657c233459286b057b4321972fcff3436b30059a4fc2a454",185 "language": "Python",186 "lines": 295,187 "truncated": false,188 "block": 20,189 "row": 20614190 },191 {192 "path": "tests/test_ase.py",193 "sha256": "2c986aeb689a94b96841ff82e4edf40ba038189a69a4e5f67a3eff2b1561ec22",194 "language": "Python",195 "lines": 172,196 "truncated": false,197 "block": 20,198 "row": 17777199 },200 {201 "path": "tests/test_jaxmd.py",202 "sha256": "ac4644d3922b9e344a36530e66ea0b0cafebd0cf1b8a52cae7327a6c2e1fa157",203 "language": "Python",204 "lines": 320,205 "truncated": false,206 "block": 20,207 "row": 20151208 },209 {210 "path": "tests/test_potential.py",211 "sha256": "87852542570d6798950df92e2f0322a16f075279bbcecd5aaca137bcedc58bf8",212 "language": "Python",213 "lines": 7,214 "truncated": false,215 "block": 20,216 "row": 12356217 },218 {219 "path": "tests/test_readme.py",220 "sha256": "30945f83fab5246bf71b997a679ba7a97c4292adb0fae580abff4fbb010885d9",221 "language": "Python",222 "lines": 102,223 "truncated": false,224 "block": 20,225 "row": 16445226 }227 ]228}