Team Ai
Datasetpublic

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.

sourceHugging Faceotherupdated 2d agoView on Hugging Face
0likes5.6kdownloads
github.com__chainer__chainer-chemistry.json2874 linesDownload Raw Back to a8
1{2 "format": "oscr-script-manifest/1",3 "repository": "github.com/chainer/chainer-chemistry",4 "url": "https://github.com/chainer/chainer-chemistry/blob/master/chainer_chemistry/dataset/splitters/scaffold_splitter.py",5 "host": "github.com",6 "commit": "efe323aa21f63a815130d673781e7cca1ccb72d2",7 "license": "MIT",8 "license_confirmed_by": "license file LICENSE",9 "redistribution": "yes",10 "files": [11  {12   "path": ".flexci/gen_config.py",13   "sha256": "068d6bfdab23e048583ea6459ed6a5a00ab8330ad031cef78fab2ae41e0d91de",14   "language": "Python",15   "lines": 78,16   "truncated": false,17   "block": 23,18   "row": 179519  },20  {21   "path": ".flexci/pytest_script.sh",22   "sha256": "981f545dad3ac6db9e9693b61983f5e4d5afabb803004ba02c6296a17bc16c29",23   "language": "Shell",24   "lines": 85,25   "truncated": false,26   "block": 23,27   "row": 1818128  },29  {30   "path": "LICENSE",31   "sha256": "f0bff065a391ba7a48d2f0e1574f6df1fc6d6257cef1970ee4366f1b07ab162d",32   "language": "License",33   "lines": 21,34   "truncated": false,35   "block": 22,36   "row": 1407437  },38  {39   "path": "README.md",40   "sha256": "59c8449ec42672def6ba04fdfbebe52cda2b0037736b0e576f83b27c0cd980f1",41   "language": "Text",42   "lines": 235,43   "truncated": false,44   "block": 24,45   "row": 94246  },47  {48   "path": "chainer_chemistry/__init__.py",49   "sha256": "0826990e20e4bb43c14c1e8421395fc5b066b3b999b42df61aa8d71e25423890",50   "language": "Python",51   "lines": 28,52   "truncated": false,53   "block": 22,54   "row": 2844255  },56  {57   "path": "chainer_chemistry/_version.py",58   "sha256": "c76a4e725611102cdf24c01de2cc3aed6fc511411728f52821282ead83e14918",59   "language": "Python",60   "lines": 1,61   "truncated": false,62   "block": 22,63   "row": 2537664  },65  {66   "path": "chainer_chemistry/config.py",67   "sha256": "14801b14538ae8edbbff327d2bf7cb0147255ef8398bcd1d6db6e3cef7de1362",68   "language": "Python",69   "lines": 7,70   "truncated": false,71   "block": 22,72   "row": 2591973  },74  {75   "path": "chainer_chemistry/dataset/__init__.py",76   "sha256": "2d2bc9fccd0d8dea74a90b6b8e8b80500538868713253dc672c43425027f7a73",77   "language": "Python",78   "lines": 2,79   "truncated": false,80   "block": 22,81   "row": 2581482  },83  {84   "path": "chainer_chemistry/dataset/converters/__init__.py",85   "sha256": "6a15c11ba114068936f67c8d2cedc33567bc8d90743f0f74853bf44c6e45ee4f",86   "language": "Python",87   "lines": 22,88   "truncated": false,89   "block": 22,90   "row": 2799791  },92  {93   "path": "chainer_chemistry/dataset/converters/cgcnn_converter.py",94   "sha256": "68a1ed003a1cf1fd3c8ed53037ace13b40e0a830a80e31c8244db76ddf40c4f2",95   "language": "Python",96   "lines": 36,97   "truncated": false,98   "block": 22,99   "row": 29448100  },101  {102   "path": "chainer_chemistry/dataset/converters/concat_mols.py",103   "sha256": "51eccdf439190e0bed75f04bf514436fcb7e5c8cbbf3e6f9da2f54dc99d68eac",104   "language": "Python",105   "lines": 69,106   "truncated": false,107   "block": 23,108   "row": 3429109  },110  {111   "path": "chainer_chemistry/dataset/converters/megnet_converter.py",112   "sha256": "c0005453798f09ceca51dd7fbb12d1c468b4b0df712deaaa75c51ff1c1287d92",113   "language": "Python",114   "lines": 41,115   "truncated": false,116   "block": 23,117   "row": 317118  },119  {120   "path": "chainer_chemistry/dataset/graph_dataset/base_graph_data.py",121   "sha256": "00e268b4ca2aa41ba5ee41778c074ddc49929ac4551c3614906b844a619b1049",122   "language": "Python",123   "lines": 74,124   "truncated": false,125   "block": 23,126   "row": 1863127  },128  {129   "path": "chainer_chemistry/dataset/graph_dataset/base_graph_dataset.py",130   "sha256": "7e24633ed4681a49c4e2d27b51b6d953a18bacbf4db11bf44038d62d0f2ea414",131   "language": "Python",132   "lines": 135,133   "truncated": false,134   "block": 23,135   "row": 6128136  },137  {138   "path": "chainer_chemistry/dataset/graph_dataset/feature_converters.py",139   "sha256": "010f76e2348a72b0299e372bd2f3046153173fc08bc59ae675aa6fdda9b13a04",140   "language": "Python",141   "lines": 116,142   "truncated": false,143   "block": 23,144   "row": 4835145  },146  {147   "path": "chainer_chemistry/dataset/indexer.py",148   "sha256": "875fae598a70b446750bdc0677d76bb23f3ca5a8294483c416810f631b710264",149   "language": "Python",150   "lines": 187,151   "truncated": false,152   "block": 23,153   "row": 7926154  },155  {156   "path": "chainer_chemistry/dataset/indexers/__init__.py",157   "sha256": "59c0aeb6658c5fa3ddd3e58dc50dd868af60f8acac6098d2ae45ef45dd079fe2",158   "language": "Python",159   "lines": 1,160   "truncated": false,161   "block": 22,162   "row": 25756163  },164  {165   "path": "chainer_chemistry/dataset/indexers/numpy_tuple_dataset_feature_indexer.py",166   "sha256": "6d8fe45cea39291f8c4f1c84d1930d2db1331c65411703673f6601bb6d43f5e5",167   "language": "Python",168   "lines": 23,169   "truncated": false,170   "block": 22,171   "row": 27749172  },173  {174   "path": "chainer_chemistry/dataset/networkx_preprocessors/base_networkx.py",175   "sha256": "dc5b159464dcc049a399db6bee0c4d5f6b05e09274dd85b62d8f31375e7fe963",176   "language": "Python",177   "lines": 156,178   "truncated": false,179   "block": 23,180   "row": 6374181  },182  {183   "path": "chainer_chemistry/dataset/networkx_preprocessors/reddit_coo.py",184   "sha256": "42f313bd9abccd6260817203de33e86a5490097e0f56dcee3a12aa89ac3034a4",185   "language": "Python",186   "lines": 46,187   "truncated": false,188   "block": 22,189   "row": 29424190  },191  {192   "path": "chainer_chemistry/dataset/parsers/__init__.py",193   "sha256": "75bb23d1b7f37ffb47f8c85839c7a94ad4e57607eb013cd57ecc09e1f49c5454",194   "language": "Python",195   "lines": 12,196   "truncated": false,197   "block": 22,198   "row": 28356199  },200  {201   "path": "chainer_chemistry/dataset/parsers/base_parser.py",202   "sha256": "7454de94d95875bb21174e9eca7cd297f95e1ec8a960ee197fce688d3ab8d206",203   "language": "Python",204   "lines": 14,205   "truncated": false,206   "block": 22,207   "row": 26569208  },209  {210   "path": "chainer_chemistry/dataset/parsers/csv_file_parser.py",211   "sha256": "3933c5d2b3256058f20f97a5a9df4b89c5bc3be2be83788bfc357de8f1c39aa3",212   "language": "Python",213   "lines": 78,214   "truncated": false,215   "block": 23,216   "row": 3633217  },218  {219   "path": "chainer_chemistry/dataset/parsers/data_frame_parser.py",220   "sha256": "672beec0e7262a51b20360a63928cc338a2880fd5fa70a9fec95e9c92181e99d",221   "language": "Python",222   "lines": 199,223   "truncated": false,224   "block": 23,225   "row": 9301226  },227  {228   "path": "chainer_chemistry/dataset/parsers/sdf_file_parser.py",229   "sha256": "4c61938eb1e7d391f8d50be6147fe090ad6fce539c584938a7745c0f42a08329",230   "language": "Python",231   "lines": 187,232   "truncated": false,233   "block": 23,234   "row": 8921235  },236  {237   "path": "chainer_chemistry/dataset/parsers/smiles_parser.py",238   "sha256": "ec76933add287f6f3cbb5663743dd8ffab043b7eff48d8bf86bddea1b2758c46",239   "language": "Python",240   "lines": 71,241   "truncated": false,242   "block": 23,243   "row": 3198244  },245  {246   "path": "chainer_chemistry/dataset/preprocessors/__init__.py",247   "sha256": "9a3c82001967eb2327c77d92101b317d65c18e52f443cb47750f3be073f0dff6",248   "language": "Python",249   "lines": 46,250   "truncated": false,251   "block": 23,252   "row": 3556253  },254  {255   "path": "chainer_chemistry/dataset/preprocessors/atomic_number_preprocessor.py",256   "sha256": "409807aacb70790fb82d047dae61515094b90165e66525842befb56db1610ee1",257   "language": "Python",258   "lines": 43,259   "truncated": false,260   "block": 23,261   "row": 531262  },263  {264   "path": "chainer_chemistry/dataset/preprocessors/base_preprocessor.py",265   "sha256": "3018deab2dfef62a1d234d1872c90271c074b84f8847932b5c68eb779874d510",266   "language": "Python",267   "lines": 13,268   "truncated": false,269   "block": 22,270   "row": 26271271  },272  {273   "path": "chainer_chemistry/dataset/preprocessors/cgcnn_preprocessor.py",274   "sha256": "9a5e6fc6339a82aa4ab76156e1984f86fe07fbd582c9e36075e725ffaa2f6909",275   "language": "Python",276   "lines": 59,277   "truncated": false,278   "block": 23,279   "row": 1474280  },281  {282   "path": "chainer_chemistry/dataset/preprocessors/common.py",283   "sha256": "0279f0f44ac4c7975a26a21bf8152996c7fffc637f9ff7064c1bab2cc05a4898",284   "language": "Python",285   "lines": 246,286   "truncated": false,287   "block": 23,288   "row": 9748289  },290  {291   "path": "chainer_chemistry/dataset/preprocessors/ecfp_preprocessor.py",292   "sha256": "f50b199bcfb1cbb4e3b7769e221f7ddf199d589d953b5ee55879f0f11c0a814c",293   "language": "Python",294   "lines": 26,295   "truncated": false,296   "block": 22,297   "row": 28610298  },299  {300   "path": "chainer_chemistry/dataset/preprocessors/ggnn_preprocessor.py",301   "sha256": "c3036db89ba4fe22d3ac2e14deb69ea81a48fee2263547d950333faf9560f73e",302   "language": "Python",303   "lines": 102,304   "truncated": false,305   "block": 23,306   "row": 4722307  },308  {309   "path": "chainer_chemistry/dataset/preprocessors/gin_preprocessor.py",310   "sha256": "56ef57a60a5b5ba4f32200592dd6de99b13b9b9a1c5873a7957f387d198323c9",311   "language": "Python",312   "lines": 104,313   "truncated": false,314   "block": 23,315   "row": 4967316  },317  {318   "path": "chainer_chemistry/dataset/preprocessors/gnnfilm_preprocessor.py",319   "sha256": "7c12eb8d63e84f5d72838b7613f7d911ec1d6c2635a259d2795d9a172b654378",320   "language": "Python",321   "lines": 48,322   "truncated": false,323   "block": 23,324   "row": 1396325  },326  {327   "path": "chainer_chemistry/dataset/preprocessors/gwm_preprocessor.py",328   "sha256": "a1bf7274974e23d8b8b780578a7fabef4c9525d44efc8f59009894dc9466c924",329   "language": "Python",330   "lines": 41,331   "truncated": false,332   "block": 23,333   "row": 963334  },335  {336   "path": "chainer_chemistry/dataset/preprocessors/megnet_preprocessor.py",337   "sha256": "01ac0f55c8d8154615756cc0ca4705162df2ee981eadbe72ce304599c07916f0",338   "language": "Python",339   "lines": 371,340   "truncated": false,341   "block": 23,342   "row": 11652343  },344  {345   "path": "chainer_chemistry/dataset/preprocessors/mol_preprocessor.py",346   "sha256": "e05cf1d42645adb93b271fbac54a9e3a2be476e0a323225c6198599e6de37e10",347   "language": "Python",348   "lines": 101,349   "truncated": false,350   "block": 23,351   "row": 4191352  },353  {354   "path": "chainer_chemistry/dataset/preprocessors/nfp_preprocessor.py",355   "sha256": "1edfc1e1ad176a9413b735ce11d2d819d3621bd9ac1482ec57d97f497e42b598",356   "language": "Python",357   "lines": 49,358   "truncated": false,359   "block": 23,360   "row": 1274361  },362  {363   "path": "chainer_chemistry/dataset/preprocessors/relgat_preprocessor.py",364   "sha256": "07f07e664d5f56b31d5c9dc971b8cc2cc349ec2bbd67fccfcf06464354d4a846",365   "language": "Python",366   "lines": 44,367   "truncated": false,368   "block": 23,369   "row": 1164370  },371  {372   "path": "chainer_chemistry/dataset/preprocessors/relgcn_preprocessor.py",373   "sha256": "d6f93d65f56d41afa296cee6ae3a8c2865fb986d8dd825816e78186928415e01",374   "language": "Python",375   "lines": 41,376   "truncated": false,377   "block": 23,378   "row": 43379  },380  {381   "path": "chainer_chemistry/dataset/preprocessors/rsgcn_preprocessor.py",382   "sha256": "8fe0df50c692c4268ea69b905404ce42987b42891db8630f57500131fc4be0bf",383   "language": "Python",384   "lines": 63,385   "truncated": false,386   "block": 23,387   "row": 2402388  },389  {390   "path": "chainer_chemistry/dataset/preprocessors/schnet_preprocessor.py",391   "sha256": "915ef1febcb2130de77f211f09ef454238a5c955255324216bee469c3bf99cd2",392   "language": "Python",393   "lines": 109,394   "truncated": false,395   "block": 23,396   "row": 4397397  },398  {399   "path": "chainer_chemistry/dataset/preprocessors/weavenet_preprocessor.py",400   "sha256": "17e8d37c79c57a5c3c84b48370360f9a008d2fb76847e974fd934682dbff34c3",401   "language": "Python",402   "lines": 335,403   "truncated": false,404   "block": 23,405   "row": 11495406  },407  {408   "path": "chainer_chemistry/dataset/preprocessors/wle.py",409   "sha256": "235fddc00b2da1d1fd674bb106d7a74617557b9b7bf706e273f6f7f335a84765",410   "language": "Python",411   "lines": 116,412   "truncated": false,413   "block": 23,414   "row": 5011415  },416  {417   "path": "chainer_chemistry/dataset/preprocessors/wle_atom_array_update.py",418   "sha256": "89542a1e4fba9ff6c94810b702d2e83b0ebf856a6f2477e320fd79d447522288",419   "language": "Python",420   "lines": 127,421   "truncated": false,422   "block": 23,423   "row": 6524424  },425  {426   "path": "chainer_chemistry/dataset/preprocessors/wle_io.py",427   "sha256": "4457569056b9186f43229359c3d27f07ca738572c5e43cc6e3d2fdd7d3c5c94e",428   "language": "Python",429   "lines": 107,430   "truncated": false,431   "block": 23,432   "row": 4589433  },434  {435   "path": "chainer_chemistry/dataset/preprocessors/wle_util.py",436   "sha256": "563391be8dc1b671a2a140e9655a6438aa02a069b83bcc98917759cfd0540d7a",437   "language": "Python",438   "lines": 58,439   "truncated": false,440   "block": 23,441   "row": 595442  },443  {444   "path": "chainer_chemistry/dataset/splitters/__init__.py",445   "sha256": "c2bba4b7340b14593d683d9874e7301203f0c63f618549a712c60b1e69112fdb",446   "language": "Python",447   "lines": 21,448   "truncated": false,449   "block": 22,450   "row": 29312451  },452  {453   "path": "chainer_chemistry/dataset/splitters/base_splitter.py",454   "sha256": "c256b6faf158f8e5e9a9e69f73c5e1a63284affdd6029b9a71a6f76eccf46f80",455   "language": "Python",456   "lines": 59,457   "truncated": false,458   "block": 23,459   "row": 1542460  },461  {462   "path": "chainer_chemistry/dataset/splitters/deepchem_scaffold_splitter.py",463   "sha256": "1e018dd20b0456aa6e361bcf09939df7b605922c2e6c3ae7ba965fdb842a8573",464   "language": "Python",465   "lines": 135,466   "truncated": false,467   "block": 23,468   "row": 6905469  },470  {471   "path": "chainer_chemistry/dataset/splitters/random_splitter.py",472   "sha256": "e3eb53a0c74ac238ec05c1c9bf9ab7a5eae42dc74cf36058b5b960e5346c206f",473   "language": "Python",474   "lines": 116,475   "truncated": false,476   "block": 23,477   "row": 6511478  },479  {480   "path": "chainer_chemistry/dataset/splitters/scaffold_splitter.py",481   "sha256": "c536a27015749c89be7fae77aeef6ad0a7ae5c22f601817b50fc81bd46bbd963",482   "language": "Python",483   "lines": 130,484   "truncated": false,485   "block": 23,486   "row": 6365487  },488  {489   "path": "chainer_chemistry/dataset/splitters/stratified_splitter.py",490   "sha256": "acdd7d546042b11d2a9a6d295bc2ab2c58fcf57d6e5e0b37c28c243a507d5fee",491   "language": "Python",492   "lines": 215,493   "truncated": false,494   "block": 23,495   "row": 9706496  },497  {498   "path": "chainer_chemistry/dataset/splitters/time_splitter.py",499   "sha256": "70260c6980bf3b74e08806158a20b1dc96e967a26a6a5e130bdb9c6ff8607b71",500   "language": "Python",501   "lines": 113,502   "truncated": false,503   "block": 23,504   "row": 5714505  },506  {507   "path": "chainer_chemistry/dataset/utils.py",508   "sha256": "c6c9d71a92ba383fd00447735a128ed42c1da370f0708bb78481a52108fdfc6a",509   "language": "Python",510   "lines": 48,511   "truncated": false,512   "block": 23,513   "row": 510514  },515  {516   "path": "chainer_chemistry/datasets/__init__.py",517   "sha256": "25995bc8a3b1a8e690572293ef0075ee498eb86edd105eb59fc6b8c74676b246",518   "language": "Python",519   "lines": 17,520   "truncated": false,521   "block": 22,522   "row": 28658523  },524  {525   "path": "chainer_chemistry/datasets/citation_network/citation.py",526   "sha256": "f3d1c52d605d2733ea540eb88e24612889669455d669470c807cca4746222a83",527   "language": "Python",528   "lines": 48,529   "truncated": false,530   "block": 23,531   "row": 320532  },533  {534   "path": "chainer_chemistry/datasets/citation_network/citeseer.py",535   "sha256": "36c7077c835338d872ff66d76917f90b75740d7d039adef2c4f20d2535bbf0ed",536   "language": "Python",537   "lines": 92,538   "truncated": false,539   "block": 23,540   "row": 3529541  },542  {543   "path": "chainer_chemistry/datasets/citation_network/cora.py",544   "sha256": "fb1df674cc25469c79e5eae60b9df2abf872c01dbca928400b21e07b3feeb107",545   "language": "Python",546   "lines": 98,547   "truncated": false,548   "block": 23,549   "row": 3571550  },551  {552   "path": "chainer_chemistry/datasets/molnet/__init__.py",553   "sha256": "97cf6a39c97b3459ba09f62cf06a9c4792586e0055a80c952cb1a5d8b514b3b3",554   "language": "Python",555   "lines": 11,556   "truncated": false,557   "block": 22,558   "row": 28109559  },560  {561   "path": "chainer_chemistry/datasets/molnet/chembl_tasks.py",562   "sha256": "7693bde382a254083909f6bdb307f5129d866ed9ae8d4f700b03be2e0f704bcc",563   "language": "Python",564   "lines": 119,565   "truncated": false,566   "block": 23,567   "row": 8217568  },569  {570   "path": "chainer_chemistry/datasets/molnet/molnet.py",571   "sha256": "e4d778a03394ef422af54d531310357f8b8d8b2adf7129c97b3155b20fd09d87",572   "language": "Python",573   "lines": 501,574   "truncated": false,575   "block": 23,576   "row": 13471577  },578  {579   "path": "chainer_chemistry/datasets/molnet/molnet_config.py",580   "sha256": "bf26d9723bc0e3edec1cb857147213bcd158b729a3ab62f28fe4567c2e2eb49a",581   "language": "Python",582   "lines": 369,583   "truncated": false,584   "block": 23,585   "row": 12187586  },587  {588   "path": "chainer_chemistry/datasets/molnet/pdbbind_time.py",589   "sha256": "661eea56b6c18d57cfac2e1e40524beabdcd947d81c2a3627188ca165495eb39",590   "language": "Python",591   "lines": 77,592   "truncated": false,593   "block": 23,594   "row": 1681595  },596  {597   "path": "chainer_chemistry/datasets/molnet/toxcast_tasks.py",598   "sha256": "d171894fef7cc17870f618f04628c6bf59dc4883e442d2205414e918d5c3272d",599   "language": "Python",600   "lines": 251,601   "truncated": false,602   "block": 23,603   "row": 12423604  },605  {606   "path": "chainer_chemistry/datasets/numpy_tuple_dataset.py",607   "sha256": "c5c53d46a971d8fad3604d5efe503e072e9060eb55b65cf1d33d1ccf93969bdf",608   "language": "Python",609   "lines": 107,610   "truncated": false,611   "block": 23,612   "row": 4302613  },614  {615   "path": "chainer_chemistry/datasets/qm9.py",616   "sha256": "5652360a762de5f4788fcf81746d1ae34ee3281863b9f4f9257aa0e93ec22dfe",617   "language": "Python",618   "lines": 132,619   "truncated": false,620   "block": 23,621   "row": 5336622  },623  {624   "path": "chainer_chemistry/datasets/reddit/reddit.py",625   "sha256": "e642e1761438303c0abc8aba9fef7724feb92840d266e9e083e1b4901158040c",626   "language": "Python",627   "lines": 105,628   "truncated": false,629   "block": 23,630   "row": 4159631  },632  {633   "path": "chainer_chemistry/datasets/tox21.py",634   "sha256": "ec0f58a5dcc5d7244ae687071ea05a8433c58ae4f006cb265129321830b08c67",635   "language": "Python",636   "lines": 190,637   "truncated": false,638   "block": 23,639   "row": 7944640  },641  {642   "path": "chainer_chemistry/datasets/zinc.py",643   "sha256": "6751e4fcb53cb80671486ff9c13b3e735337514f29bcd2d3d947a154fcc9b8d7",644   "language": "Python",645   "lines": 114,646   "truncated": false,647   "block": 23,648   "row": 4747649  },650  {651   "path": "chainer_chemistry/functions/__init__.py",652   "sha256": "2b7bd9984ef945bd3211a3a56c63c759c012b5f31e3cbf6942b83a52d9a38678",653   "language": "Python",654   "lines": 13,655   "truncated": false,656   "block": 22,657   "row": 28369658  },659  {660   "path": "chainer_chemistry/functions/activation/megnet_softplus.py",661   "sha256": "da16c3cd4312a5b2811bac27fe8a8634b0accf9e896f38684a97ce0557c13038",662   "language": "Python",663   "lines": 16,664   "truncated": false,665   "block": 22,666   "row": 27315667  },668  {669   "path": "chainer_chemistry/functions/activation/shifted_softplus.py",670   "sha256": "617d8448c96bc7a22af32de315106cf999eb05083222d323946c745ac250a5e5",671   "language": "Python",672   "lines": 22,673   "truncated": false,674   "block": 22,675   "row": 27831676  },677  {678   "path": "chainer_chemistry/functions/activation/softmax.py",679   "sha256": "7b2e867ad40bd8896aaba13fe58f5d896f9de892f5bf62c5737f6b2f6e5f2798",680   "language": "Python",681   "lines": 29,682   "truncated": false,683   "block": 22,684   "row": 28927685  },686  {687   "path": "chainer_chemistry/functions/evaluation/r2_score.py",688   "sha256": "32925145fef956b29d69830bbbb04105897b846ac51fd613f67f154ff476b3ce",689   "language": "Python",690   "lines": 77,691   "truncated": false,692   "block": 23,693   "row": 3164694  },695  {696   "path": "chainer_chemistry/functions/loss/mean_absolute_error.py",697   "sha256": "203729a4c6498042b1c403e2fc159dbafbff33ca15cb783ac65b80730e30ca49",698   "language": "Python",699   "lines": 74,700   "truncated": false,701   "block": 23,702   "row": 2657703  },704  {705   "path": "chainer_chemistry/functions/loss/mean_squared_error.py",706   "sha256": "ae062fe67ddb4439157c40057a8a7752cdba0edaf9b6f0249dc9a6f3dd313095",707   "language": "Python",708   "lines": 79,709   "truncated": false,710   "block": 23,711   "row": 2985712  },713  {714   "path": "chainer_chemistry/functions/math/matmul.py",715   "sha256": "58aaaffd3b8555fcd8c2a1c10813290eaae4d0c8365d7d4b421df88029834a68",716   "language": "Python",717   "lines": 40,718   "truncated": false,719   "block": 23,720   "row": 432721  },722  {723   "path": "chainer_chemistry/iterators/__init__.py",724   "sha256": "d5fc72ee8104889746b9c7c8446b6f163b9cb7f193537b31b215d54f090e8705",725   "language": "Python",726   "lines": 2,727   "truncated": false,728   "block": 22,729   "row": 25956730  },731  {732   "path": "chainer_chemistry/iterators/balanced_serial_iterator.py",733   "sha256": "1dfa76c4545f6b38a258b4f9993e8ddef97179131e1ca2407131e4609b0ccfd5",734   "language": "Python",735   "lines": 176,736   "truncated": false,737   "block": 23,738   "row": 8121739  },740  {741   "path": "chainer_chemistry/iterators/index_iterator.py",742   "sha256": "267b82c35c9b3ddd3a5441deb7c28077deb343668c98e22ed4f5aaba2f5f5a8a",743   "language": "Python",744   "lines": 83,745   "truncated": false,746   "block": 23,747   "row": 3101748  },749  {750   "path": "chainer_chemistry/link_hooks/__init__.py",751   "sha256": "3976f4ba6f02ec8d34463057afaed57358b70a56c7e6c00462bea120c772af7d",752   "language": "Python",753   "lines": 10,754   "truncated": false,755   "block": 22,756   "row": 26974757  },758  {759   "path": "chainer_chemistry/link_hooks/variable_monitor_link_hook.py",760   "sha256": "fe17e0b47578c92ac6172ff6cf7dacde46cebcee9557724fd8b06defffff9405",761   "language": "Python",762   "lines": 168,763   "truncated": false,764   "block": 23,765   "row": 7618766  },767  {768   "path": "chainer_chemistry/links/__init__.py",769   "sha256": "e83753753140153b14b803c6b23be47936af4cf7941a5e538220c25779325d28",770   "language": "Python",771   "lines": 25,772   "truncated": false,773   "block": 23,774   "row": 625775  },776  {777   "path": "chainer_chemistry/links/array/shape_transformer_to_2d.py",778   "sha256": "896408fb79c18fbec4c857e4076bdf8c453a994549990a7e6d56655e542b40e1",779   "language": "Python",780   "lines": 57,781   "truncated": false,782   "block": 23,783   "row": 1292784  },785  {786   "path": "chainer_chemistry/links/connection/embed_atom_id.py",787   "sha256": "28aaba428084b9a2124776f95277abe4ccfa01b0b8c7493307b24962552b7188",788   "language": "Python",789   "lines": 48,790   "truncated": false,791   "block": 23,792   "row": 900793  },794  {795   "path": "chainer_chemistry/links/connection/graph_linear.py",796   "sha256": "cdb9b19004b98b28d6d9fa68f6044f84f00abba213e75187489431dbb13e0367",797   "language": "Python",798   "lines": 39,799   "truncated": false,800   "block": 22,801   "row": 29503802  },803  {804   "path": "chainer_chemistry/links/connection/graph_mlp.py",805   "sha256": "c2a94deb6320cbad353dae0be5dd2892bddb41dd1472a6742e81006711ef0abf",806   "language": "Python",807   "lines": 39,808   "truncated": false,809   "block": 22,810   "row": 29571811  },812  {813   "path": "chainer_chemistry/links/normalization/graph_batch_normalization.py",814   "sha256": "4f1cee90b4b84d01f128765447aa675575c941b02dd3e3fcda50071cd592dce0",815   "language": "Python",816   "lines": 45,817   "truncated": false,818   "block": 23,819   "row": 668820  },821  {822   "path": "chainer_chemistry/links/readout/cgcnn_readout.py",823   "sha256": "c9c1fb8cd17388e0525f870e0fb9dd94edd5287eb6b5055811caf7ec6605a7ae",824   "language": "Python",825   "lines": 23,826   "truncated": false,827   "block": 22,828   "row": 27879829  },830  {831   "path": "chainer_chemistry/links/readout/general_readout.py",832   "sha256": "2768fbafbf95dc7e8c81be148c5bd5dfa2a06f4a9513efc3d37869609942c0f0",833   "language": "Python",834   "lines": 70,835   "truncated": false,836   "block": 23,837   "row": 1678838  },839  {840   "path": "chainer_chemistry/links/readout/ggnn_readout.py",841   "sha256": "89b141ae1bcffdcc9e679f95ef9df7e49c1448532ec986e8029f259937adf810",842   "language": "Python",843   "lines": 53,844   "truncated": false,845   "block": 23,846   "row": 1669847  },848  {849   "path": "chainer_chemistry/links/readout/megnet_readout.py",850   "sha256": "64f6a4a73570b1dbfb5a2ea9574238beaf9391051947b5ce7db52e575849d266",851   "language": "Python",852   "lines": 59,853   "truncated": false,854   "block": 23,855   "row": 1980856  },857  {858   "path": "chainer_chemistry/links/readout/mpnn_readout.py",859   "sha256": "6883dce0524f4210fae199d6cace3842a5994cf747d6c00ae30f93f4f962f08c",860   "language": "Python",861   "lines": 42,862   "truncated": false,863   "block": 23,864   "row": 597865  },866  {867   "path": "chainer_chemistry/links/readout/nfp_readout.py",868   "sha256": "ee1551f13529460d6804d27a7f9698a4bcc0ec2ac1cb5d0e43053850428374eb",869   "language": "Python",870   "lines": 37,871   "truncated": false,872   "block": 22,873   "row": 29368874  },875  {876   "path": "chainer_chemistry/links/readout/scatter_ggnn_readout.py",877   "sha256": "4e35d1a0c2beb6c52e8f761d649949e39caa4a23e8ced88304da0df21733203a",878   "language": "Python",879   "lines": 65,880   "truncated": false,881   "block": 23,882   "row": 2510883  },884  {885   "path": "chainer_chemistry/links/readout/schnet_readout.py",886   "sha256": "a69869a421b2991d88354296fc797f93340b9d4fd6ecc4fe44018c122c52cd2f",887   "language": "Python",888   "lines": 31,889   "truncated": false,890   "block": 22,891   "row": 28896892  },893  {894   "path": "chainer_chemistry/links/readout/set2set.py",895   "sha256": "b49d1332948ed3921ee253643509ec8cd219e56c0238e87c1fd5a6d31859ec45",896   "language": "Python",897   "lines": 68,898   "truncated": false,899   "block": 23,900   "row": 2254901  },902  {903   "path": "chainer_chemistry/links/scaler/base.py",904   "sha256": "40d5b1ac249f8b450a9f58ea825f3bb64e8439e17f3819f97c21874b52fdde83",905   "language": "Python",906   "lines": 43,907   "truncated": false,908   "block": 22,909   "row": 28999910  },911  {912   "path": "chainer_chemistry/links/scaler/flow_scaler.py",913   "sha256": "d15e50a102082eff7a83839c03d0bc43bdb1a09ee142a1e2f8db8ed38368429e",914   "language": "Python",915   "lines": 194,916   "truncated": false,917   "block": 23,918   "row": 7949919  },920  {921   "path": "chainer_chemistry/links/scaler/max_abs_scaler.py",922   "sha256": "32a6fd24739943d533302f7f346988419bc8c35ac39930fc4a5307da88bb788e",923   "language": "Python",924   "lines": 106,925   "truncated": false,926   "block": 23,927   "row": 4301928  },929  {930   "path": "chainer_chemistry/links/scaler/min_max_scaler.py",931   "sha256": "d4965c705ad472748eb38f276efb711c1ea0d57a085048a67ad14bdcbf92ff04",932   "language": "Python",933   "lines": 115,934   "truncated": false,935   "block": 23,936   "row": 4803937  },938  {939   "path": "chainer_chemistry/links/scaler/standard_scaler.py",940   "sha256": "692d19312a6abbcda7bd215d7875f966d1faddf0c6c26f495362f7959b9f8762",941   "language": "Python",942   "lines": 115,943   "truncated": false,944   "block": 23,945   "row": 5080946  },947  {948   "path": "chainer_chemistry/links/update/cgcnn_update.py",949   "sha256": "42aac4cf3adc425a55ac3428daebeb3449755bfa814eaf6233db6f80ce4fd85a",950   "language": "Python",951   "lines": 40,952   "truncated": false,953   "block": 23,954   "row": 427955  },956  {957   "path": "chainer_chemistry/links/update/ggnn_update.py",958   "sha256": "bb3c29cd2c7a36f998725d01ef79706e5e55971c58742ceec5b2a3cb52a81e60",959   "language": "Python",960   "lines": 77,961   "truncated": false,962   "block": 23,963   "row": 3061964  },965  {966   "path": "chainer_chemistry/links/update/gin_update.py",967   "sha256": "c54ac3ef27381f1387d785308d90b66c4f4184c3507ae27037da1d0d5f9795e8",968   "language": "Python",969   "lines": 119,970   "truncated": false,971   "block": 23,972   "row": 5133973  },974  {975   "path": "chainer_chemistry/links/update/gnn_film_update.py",976   "sha256": "f204f417a8814d9b40f85c37fef60f507140502fe1ab40953d7b14d2f5fc8aa8",977   "language": "Python",978   "lines": 63,979   "truncated": false,980   "block": 23,981   "row": 2634982  },983  {984   "path": "chainer_chemistry/links/update/megnet_update.py",985   "sha256": "f4a647efeceb8d01c7655cf21378c7936aafe579e6f91c3fab8419a27d05b175",986   "language": "Python",987   "lines": 153,988   "truncated": false,989   "block": 23,990   "row": 7699991  },992  {993   "path": "chainer_chemistry/links/update/mpnn_update.py",994   "sha256": "55243c399fc01a96825c5f26ffc5abee1402a0493813a0745ebc22459e0872ef",995   "language": "Python",996   "lines": 121,997   "truncated": false,998   "block": 23,999   "row": 61631000  },1001  {1002   "path": "chainer_chemistry/links/update/nfp_update.py",1003   "sha256": "d65c0ca995256260bf46507f10772ecab860316405e3ac300e2492c6af7585b1",1004   "language": "Python",1005   "lines": 56,1006   "truncated": false,1007   "block": 23,1008   "row": 9971009  },1010  {1011   "path": "chainer_chemistry/links/update/relgat_update.py",1012   "sha256": "a619bcd9a0fc6436b541ace028b84dfd473e989d6b08ffc9a8634b9784aa6539",1013   "language": "Python",1014   "lines": 141,1015   "truncated": false,1016   "block": 23,1017   "row": 80481018  },1019  {1020   "path": "chainer_chemistry/links/update/relgcn_update.py",1021   "sha256": "015ee83a7b18ca342ec7dabb2649c4dca91ddb8be835081e01e8df1a20f0285d",1022   "language": "Python",1023   "lines": 74,1024   "truncated": false,1025   "block": 23,1026   "row": 28391027  },1028  {1029   "path": "chainer_chemistry/links/update/rsgcn_update.py",1030   "sha256": "658a74f4aef08718a279f391fe529bcc30dad3f95db6690cb9a54281013adf35",1031   "language": "Python",1032   "lines": 28,1033   "truncated": false,1034   "block": 22,1035   "row": 284051036  },1037  {1038   "path": "chainer_chemistry/links/update/schnet_update.py",1039   "sha256": "329394995899ecd65dcda39b0809d5c825276c9c236145250d782c939a36b375",1040   "language": "Python",1041   "lines": 101,1042   "truncated": false,1043   "block": 23,1044   "row": 42651045  },1046  {1047   "path": "chainer_chemistry/models/__init__.py",1048   "sha256": "f275fde353ebe561fe813efeab9f8496a0bfa492158a1aa07fcfbc9e68040ff9",1049   "language": "Python",1050   "lines": 50,1051   "truncated": false,1052   "block": 23,1053   "row": 30511054  },1055  {1056   "path": "chainer_chemistry/models/cgcnn.py",1057   "sha256": "e083810ce94a0284114e46f87c7628fb5cefd119c2c5ac0343c74290dfbfd92c",1058   "language": "Python",1059   "lines": 39,1060   "truncated": false,1061   "block": 23,1062   "row": 2461063  },1064  {1065   "path": "chainer_chemistry/models/cwle/__init__.py",1066   "sha256": "65a9f873e44f46a689e33c384e981f680049e5285bc80b00081e009b1eedb2c4",1067   "language": "Python",1068   "lines": 11,1069   "truncated": false,1070   "block": 22,1071   "row": 279751072  },1073  {1074   "path": "chainer_chemistry/models/cwle/cwle_graph_conv_model.py",1075   "sha256": "241095e3893223bb8fd25c4e45e10030f4dc98df0ae2557301052dbd9c3fd30f",1076   "language": "Python",1077   "lines": 225,1078   "truncated": false,1079   "block": 23,1080   "row": 98561081  },1082  {1083   "path": "chainer_chemistry/models/cwle/cwle_net.py",1084   "sha256": "704fc4c9be99797eb0569f5e1213b2bb7e4fb4bf899184b44a23a982110acb1b",1085   "language": "Python",1086   "lines": 136,1087   "truncated": false,1088   "block": 23,1089   "row": 80181090  },1091  {1092   "path": "chainer_chemistry/models/ggnn.py",1093   "sha256": "31513f0a19eb6c62776a0364e03a5a62c2d202fee909443b768feac77fdd5998",1094   "language": "Python",1095   "lines": 133,1096   "truncated": false,1097   "block": 23,1098   "row": 71661099  },1100  {1101   "path": "chainer_chemistry/models/gin.py",1102   "sha256": "d8e943c0e4515866dbb183cf17b656afc508bbaca8283b7dfd7ae688d4b34c9c",1103   "language": "Python",1104   "lines": 194,1105   "truncated": false,1106   "block": 23,1107   "row": 92951108  },1109  {1110   "path": "chainer_chemistry/models/gnn_film.py",1111   "sha256": "7612314bb5780c8df3c0564f13f202f51edecd7168ebd0b7f94f94d41f5a231d",1112   "language": "Python",1113   "lines": 104,1114   "truncated": false,1115   "block": 23,1116   "row": 57361117  },1118  {1119   "path": "chainer_chemistry/models/gwle/__init__.py",1120   "sha256": "c29cc39b9ff7f8bda74365c80d86dfea64251b7764c5eb45803f1fd10f458387",1121   "language": "Python",1122   "lines": 10,1123   "truncated": false,1124   "block": 22,1125   "row": 275651126  },1127  {1128   "path": "chainer_chemistry/models/gwle/gwle_graph_conv_model.py",1129   "sha256": "b41e328fbb3fc34412c018acc8309ebe2a4ddea2e6a67faee3932ab9bff274fa",1130   "language": "Python",1131   "lines": 230,1132   "truncated": false,1133   "block": 23,1134   "row": 99181135  },1136  {1137   "path": "chainer_chemistry/models/gwle/gwle_net.py",1138   "sha256": "01c9e1cf1c8a49e236cce402c4824eb7f53d3c88a09ccbcad0edaabccfce5686",1139   "language": "Python",1140   "lines": 136,1141   "truncated": false,1142   "block": 23,1143   "row": 80161144  },1145  {1146   "path": "chainer_chemistry/models/gwm/__init__.py",1147   "sha256": "fb1dc15125b26d2d2edccde17678301c2c153263b37e3f8257809b481ebd17b8",1148   "language": "Python",1149   "lines": 10,1150   "truncated": false,1151   "block": 22,1152   "row": 275991153  },1154  {1155   "path": "chainer_chemistry/models/gwm/gwm.py",1156   "sha256": "9ac0d8169f80b043895a990b5dda57d07025122cea6cb3697809ad54db2a0a18",1157   "language": "Python",1158   "lines": 302,1159   "truncated": false,1160   "block": 23,1161   "row": 110661162  },1163  {1164   "path": "chainer_chemistry/models/gwm/gwm_graph_conv_model.py",1165   "sha256": "0eca467dc970c5c29d411c13b460c1a1d99cbe32e9a5fc8dbdf25dfdbf684df9",1166   "language": "Python",1167   "lines": 229,1168   "truncated": false,1169   "block": 23,1170   "row": 99931171  },1172  {1173   "path": "chainer_chemistry/models/gwm/gwm_net.py",1174   "sha256": "3582a32400d96377cc5f2230fa4da02d7883a4b37f1bfc013596775f8d51f50d",1175   "language": "Python",1176   "lines": 94,1177   "truncated": false,1178   "block": 23,1179   "row": 54611180  },1181  {1182   "path": "chainer_chemistry/models/megnet.py",1183   "sha256": "e0cc9b0550e7d4d9cd925e651b5926d8dee708b275bc54c68ae3e2f64c35a1ce",1184   "language": "Python",1185   "lines": 74,1186   "truncated": false,1187   "block": 23,1188   "row": 32431189  },1190  {1191   "path": "chainer_chemistry/models/mlp.py",1192   "sha256": "03be9c51903f1e6136cad9918c474eacfe6b350bf7b1d48df8106659626e73a8",1193   "language": "Python",1194   "lines": 34,1195   "truncated": false,1196   "block": 22,1197   "row": 290641198  },1199  {1200   "path": "chainer_chemistry/models/mpnn.py",

Showing the first 1,200 of 2874 lines. Download the file for the rest.