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__jla-gardner__graph-pes.json1038 linesDownload Raw Back to 8f
1{2 "format": "oscr-script-manifest/1",3 "repository": "github.com/jla-gardner/graph-pes",4 "url": "https://github.com/jla-gardner/graph-pes",5 "host": "github.com",6 "commit": "ec2c5b7ef6f1c8ef8af3cdce49f09c827d07b949",7 "license": "MIT",8 "license_confirmed_by": "license file LICENSE",9 "redistribution": "yes",10 "files": [11  {12   "path": "LICENSE",13   "sha256": "49300201a49de4470bd21f8b519c12d72f990e24b01edb76acf23d74dc0a26a4",14   "language": "License",15   "lines": 21,16   "truncated": false,17   "block": 17,18   "row": 780819  },20  {21   "path": "README.md",22   "sha256": "c5ddd13b57252f6e059f609670c0d824e1eb12d319afb1cd2c307a898494dc1d",23   "language": "Text",24   "lines": 69,25   "truncated": false,26   "block": 18,27   "row": 1098128  },29  {30   "path": "docs/source/conf.py",31   "sha256": "25eb2675f98f2c5113a9dea5b64daf09c3fd61f0c7198b7bb05d8c022c4503c8",32   "language": "Python",33   "lines": 126,34   "truncated": false,35   "block": 17,36   "row": 2664337  },38  {39   "path": "docs/source/quickstart/atomic-tensor-example.ipynb",40   "sha256": "0a664d591d06d3095635ac2c8828ad3089588a8264319cb08889fe6ff68ae011",41   "language": "Jupyter",42   "lines": 240,43   "truncated": false,44   "block": 17,45   "row": 649446  },47  {48   "path": "docs/source/quickstart/custom-training-loop.ipynb",49   "sha256": "f37d68d802602c245d98932ef5722d19b49676c3f5e41508fa241add3148e1fa",50   "language": "Jupyter",51   "lines": 215,52   "truncated": false,53   "block": 17,54   "row": 646955  },56  {57   "path": "docs/source/quickstart/fine-tuning.ipynb",58   "sha256": "c8e31a98d16ddfb0995c7407cbc93b43964f8a9225bad047ea6603516a0c5962",59   "language": "Jupyter",60   "lines": 325,61   "truncated": false,62   "block": 17,63   "row": 665364  },65  {66   "path": "docs/source/quickstart/implement-a-model.ipynb",67   "sha256": "cca0690e70bd88d2db8087b4abd9b511e5b142244b850d7667825710733f7b81",68   "language": "Jupyter",69   "lines": 253,70   "truncated": false,71   "block": 17,72   "row": 624673  },74  {75   "path": "docs/source/quickstart/quickstart.ipynb",76   "sha256": "0d704396d981462ad244d3985bc7c27cfc20da117441f58311f305b8bdc9ce55",77   "language": "Jupyter",78   "lines": 181,79   "truncated": false,80   "block": 17,81   "row": 634182  },83  {84   "path": "docs/source/theory.ipynb",85   "sha256": "cda0f8e5bce4519feb126b35d84dd082395c1fc30dc201451140798c0ed076f4",86   "language": "Jupyter",87   "lines": 188,88   "truncated": false,89   "block": 17,90   "row": 589891  },92  {93   "path": "docs/source/tools/ase.ipynb",94   "sha256": "472b1591bffa756ac2e8d2ab3f13c84ee2c3fbaafc76cd854aeae6d84a113954",95   "language": "Jupyter",96   "lines": 192,97   "truncated": false,98   "block": 17,99   "row": 6070100  },101  {102   "path": "docs/source/tools/lammps.ipynb",103   "sha256": "7583b419a4020e57467ed445fc34fe2500f990ed34bff469f8abf4a183948494",104   "language": "Jupyter",105   "lines": 215,106   "truncated": false,107   "block": 17,108   "row": 6386109  },110  {111   "path": "docs/source/tools/torch-sim.ipynb",112   "sha256": "5c711c945d7218e967095a327f61431328cbb6301ce51e1cefe4aabe080152cf",113   "language": "Jupyter",114   "lines": 242,115   "truncated": false,116   "block": 17,117   "row": 6403118  },119  {120   "path": "scripts/build-lammps.sh",121   "sha256": "664fc2ce3dbd812d9820d3b01621d60cf4b84d0227d0eaf791d5f783aad49198",122   "language": "Shell",123   "lines": 230,124   "truncated": false,125   "block": 18,126   "row": 10133127  },128  {129   "path": "src/graph_pes/__init__.py",130   "sha256": "0e8ffca05f26b02809e78d9cf914572fc11c605fb9e81b753cae54a7cfaa4568",131   "language": "Python",132   "lines": 25,133   "truncated": false,134   "block": 17,135   "row": 19318136  },137  {138   "path": "src/graph_pes/atomic_graph.py",139   "sha256": "20f2eff44f4fc2600b660d89efcaf634c47a6dd375da1921986b7d40621cbd72",140   "language": "Python",141   "lines": 1447,142   "truncated": false,143   "block": 18,144   "row": 5193145  },146  {147   "path": "src/graph_pes/config/shared.py",148   "sha256": "e311d3b9db0de6feddcaa82191471b99ec4717917a0415d9209f1aa6fb0036db",149   "language": "Python",150   "lines": 234,151   "truncated": false,152   "block": 17,153   "row": 31173154  },155  {156   "path": "src/graph_pes/config/testing.py",157   "sha256": "14a3c7e0c9378ee8345a55a5f9466f18804e0903b1bed5a2156193540d94fcc0",158   "language": "Python",159   "lines": 181,160   "truncated": false,161   "block": 17,162   "row": 29350163  },164  {165   "path": "src/graph_pes/config/training.py",166   "sha256": "d718470e9cb42d73a1b15918b491426ae10558117339a50e3cac52046939ea2e",167   "language": "Python",168   "lines": 156,169   "truncated": false,170   "block": 17,171   "row": 27637172  },173  {174   "path": "src/graph_pes/data/__init__.py",175   "sha256": "5304757c056dd8587bbd3d5c02379900be678c40650248c2070a0c584e4eb585",176   "language": "Python",177   "lines": 19,178   "truncated": false,179   "block": 17,180   "row": 18362181  },182  {183   "path": "src/graph_pes/data/ase_db.py",184   "sha256": "c3a4ad146241baa9ed4737a0653986321c7f21ca68ae94d54f1a2ff57f71acb4",185   "language": "Python",186   "lines": 74,187   "truncated": false,188   "block": 17,189   "row": 23970190  },191  {192   "path": "src/graph_pes/data/datasets.py",193   "sha256": "13f8dd62a6e359aa765a240a2633a2c0c6ea0e16aff89d47355fb2e98006b6c2",194   "language": "Python",195   "lines": 531,196   "truncated": false,197   "block": 18,198   "row": 2654199  },200  {201   "path": "src/graph_pes/data/loader.py",202   "sha256": "c0a1b8e15dfcb21ff6740b71980067cf48d598505ac8950dfe9ff8c78e541f0d",203   "language": "Python",204   "lines": 65,205   "truncated": false,206   "block": 17,207   "row": 22388208  },209  {210   "path": "src/graph_pes/data/transforms.py",211   "sha256": "5637c8c694310ed86f87b065fe6c69903556891c59e355a5abd30feedb5f475a",212   "language": "Python",213   "lines": 45,214   "truncated": false,215   "block": 17,216   "row": 20868217  },218  {219   "path": "src/graph_pes/graph_pes_model.py",220   "sha256": "e024f48eda7d07301811b9eb8c3dc0486dbc3b9f408870703d5d348cef3bd92f",221   "language": "Python",222   "lines": 448,223   "truncated": false,224   "block": 18,225   "row": 2650226  },227  {228   "path": "src/graph_pes/graph_property_model.py",229   "sha256": "88883895c50fb76da12d470d69a9a4f634debd4aec3a8e91491b2d0b35710e7a",230   "language": "Python",231   "lines": 314,232   "truncated": false,233   "block": 18,234   "row": 529235  },236  {237   "path": "src/graph_pes/interfaces/__init__.py",238   "sha256": "dccede7d492953fc866389f79d3058d26df265be0430f719da47162f104cd731",239   "language": "Python",240   "lines": 13,241   "truncated": false,242   "block": 17,243   "row": 18006244  },245  {246   "path": "src/graph_pes/interfaces/_mace.py",247   "sha256": "ce61163ff58dec49cb2478cfd5ab60b3bfc53481454a8d455a91a9e48a17d0c3",248   "language": "Python",249   "lines": 442,250   "truncated": false,251   "block": 18,252   "row": 2132253  },254  {255   "path": "src/graph_pes/interfaces/_mattersim.py",256   "sha256": "4363ea6d251296e688d39b4e0e43875b6f7bf0aff582aa1131007dc0d15537a7",257   "language": "Python",258   "lines": 159,259   "truncated": false,260   "block": 17,261   "row": 28996262  },263  {264   "path": "src/graph_pes/interfaces/_orb.py",265   "sha256": "0eb20531adfd70ddf5ce51e970baa1762d561c7f5971fa13a2230ab138eb8921",266   "language": "Python",267   "lines": 233,268   "truncated": false,269   "block": 17,270   "row": 30767271  },272  {273   "path": "src/graph_pes/interfaces/base.py",274   "sha256": "1c073fea06584f0654ba91ea8e0eba7081b3aefbbcccb41014695375e6084cbc",275   "language": "Python",276   "lines": 25,277   "truncated": false,278   "block": 17,279   "row": 19537280  },281  {282   "path": "src/graph_pes/interfaces/mace_test.py",283   "sha256": "9ac2e3e2c3c5f257a3b6af1a2d5af3b4797d22a51ba1ac404abcb17bf8520e50",284   "language": "Python",285   "lines": 181,286   "truncated": false,287   "block": 17,288   "row": 28954289  },290  {291   "path": "src/graph_pes/interfaces/mattersim_test.py",292   "sha256": "7806b967af6befa93799f3b682ed28699b11b144f5ccc5803e647176f14bd211",293   "language": "Python",294   "lines": 157,295   "truncated": false,296   "block": 17,297   "row": 28361298  },299  {300   "path": "src/graph_pes/interfaces/orb_test.py",301   "sha256": "d9a153f045ca05a1690d8157f1a0c6752d19f218551796bf761ca066c7744073",302   "language": "Python",303   "lines": 118,304   "truncated": false,305   "block": 17,306   "row": 25783307  },308  {309   "path": "src/graph_pes/models/__init__.py",310   "sha256": "5c1f4bd90c44876818a0dd1e6b217379e16f4d56d3041559233aef7287a83e78",311   "language": "Python",312   "lines": 312,313   "truncated": false,314   "block": 17,315   "row": 30482316  },317  {318   "path": "src/graph_pes/models/addition.py",319   "sha256": "2072097fbf71dd648d493675860335f533abdba68ba64f82e20f2e7dcfeff74d",320   "language": "Python",321   "lines": 218,322   "truncated": false,323   "block": 17,324   "row": 30562325  },326  {327   "path": "src/graph_pes/models/components/aggregation.py",328   "sha256": "1e86ab903afaa56d948132ada679274f56cdd417e092dc5a415df1ff821493cb",329   "language": "Python",330   "lines": 217,331   "truncated": false,332   "block": 17,333   "row": 30029334  },335  {336   "path": "src/graph_pes/models/components/distances.py",337   "sha256": "aa066fd8d2276d7f18542e3b4fc6a675cb717bc2aeffe0b08e1f93addb15816e",338   "language": "Python",339   "lines": 508,340   "truncated": false,341   "block": 18,342   "row": 1981343  },344  {345   "path": "src/graph_pes/models/components/scaling.py",346   "sha256": "a6afa73da2047b15e089a22f953330aa57167eb13b8f481ccf20f6ace7fcc803",347   "language": "Python",348   "lines": 149,349   "truncated": false,350   "block": 17,351   "row": 27605352  },353  {354   "path": "src/graph_pes/models/e3nn/mace.py",355   "sha256": "05889bb93d322598eff19c575daa0132d17b13b1116fc97a8179ab1bb0128011",356   "language": "Python",357   "lines": 1114,358   "truncated": false,359   "block": 18,360   "row": 4951361  },362  {363   "path": "src/graph_pes/models/e3nn/mace_utils.py",364   "sha256": "9d59093a9d2d2c01c50f94348061d5002928ccda680df9e4f2769e65e9018220",365   "language": "Python",366   "lines": 315,367   "truncated": false,368   "block": 18,369   "row": 62370  },371  {372   "path": "src/graph_pes/models/e3nn/nequip.py",373   "sha256": "c3c4502a9eb319244671247021a7ba67a2a064c9e4b254de11b1794043869570",374   "language": "Python",375   "lines": 1203,376   "truncated": false,377   "block": 18,378   "row": 5167379  },380  {381   "path": "src/graph_pes/models/e3nn/utils.py",382   "sha256": "a6327ee8b087871abacef6543cf2481b100d6f1889ff401e8047ed989c2736b1",383   "language": "Python",384   "lines": 481,385   "truncated": false,386   "block": 18,387   "row": 2418388  },389  {390   "path": "src/graph_pes/models/eddp.py",391   "sha256": "ba5db507df5376d7478dbc9cb6f9e0f4e04dd5e7bb7de38c3f6e55dc0ecccc03",392   "language": "Python",393   "lines": 360,394   "truncated": false,395   "block": 18,396   "row": 629397  },398  {399   "path": "src/graph_pes/models/offsets.py",400   "sha256": "d1157e51a1cc0f291192c904c7ac68a91ccb6334b189157fbcbeb575598115a6",401   "language": "Python",402   "lines": 324,403   "truncated": false,404   "block": 18,405   "row": 241406  },407  {408   "path": "src/graph_pes/models/orb.py",409   "sha256": "2f1dd1a1869268b78490b62b85ed2a31f21107fe9476802ee14cea43f7fbc79b",410   "language": "Python",411   "lines": 367,412   "truncated": false,413   "block": 18,414   "row": 1001415  },416  {417   "path": "src/graph_pes/models/painn.py",418   "sha256": "8e990bfcd1ce22b14a2ab9099bf9dfd4374f968ac292b6cb97d4e42f23478d49",419   "language": "Python",420   "lines": 265,421   "truncated": false,422   "block": 17,423   "row": 31527424  },425  {426   "path": "src/graph_pes/models/pairwise.py",427   "sha256": "14c7e1d3aa454fcbf34cb495d59004e4891338db3e6590e42feb13c4d8df1a9f",428   "language": "Python",429   "lines": 559,430   "truncated": false,431   "block": 18,432   "row": 2747433  },434  {435   "path": "src/graph_pes/models/schnet.py",436   "sha256": "a629a09686fa5a264d728528bab74bdc9c9a54735398bbc7b6180486dcb98586",437   "language": "Python",438   "lines": 251,439   "truncated": false,440   "block": 17,441   "row": 31231442  },443  {444   "path": "src/graph_pes/models/scripted.py",445   "sha256": "df5030876b032684bdde5f03914b22778f20884d47cafb912f1a7e6c526881b5",446   "language": "Python",447   "lines": 29,448   "truncated": false,449   "block": 17,450   "row": 19983451  },452  {453   "path": "src/graph_pes/models/stillinger_weber.py",454   "sha256": "dcd248dbc5c53f7e513f8ac2ee60b7e6639794431974b00ebc28bbb9018d1f5b",455   "language": "Python",456   "lines": 151,457   "truncated": false,458   "block": 17,459   "row": 28464460  },461  {462   "path": "src/graph_pes/models/tensornet.py",463   "sha256": "021d917ed49e0a1b4febbdd4f26b1e0a798c2cfa2a5237cbc45a04968dadf447",464   "language": "Python",465   "lines": 523,466   "truncated": false,467   "block": 18,468   "row": 2586469  },470  {471   "path": "src/graph_pes/models/unit_converter.py",472   "sha256": "8b7ba5ccecf586439d974b73682025f1784368e49a7948330edecdac3923b54d",473   "language": "Python",474   "lines": 49,475   "truncated": false,476   "block": 17,477   "row": 21826478  },479  {480   "path": "src/graph_pes/pair_style/pair_graph_pes.cpp",481   "sha256": "24275bbef167f8d47f65812f094868571928e39c4480749e2472474bc836e70d",482   "language": "C++",483   "lines": 485,484   "truncated": false,485   "block": 17,486   "row": 2146487  },488  {489   "path": "src/graph_pes/pair_style/pair_graph_pes.h",490   "sha256": "8f80dffa468b3e7b8769246e7ffe2c85f0c002e5436e059df4d3a6016fc3602f",491   "language": "C/C++",492   "lines": 55,493   "truncated": false,494   "block": 17,495   "row": 2819496  },497  {498   "path": "src/graph_pes/scripts/id.py",499   "sha256": "c606eab47a92c925688fa5c398ff9f42dc440b0d5bbaebfba822521e721e77ec",500   "language": "Python",501   "lines": 9,502   "truncated": false,503   "block": 17,504   "row": 17480505  },506  {507   "path": "src/graph_pes/scripts/resume.py",508   "sha256": "64ed4a18c1ca7245d6fb3957f64a9f4c88503c8605717f64f84a707809d2ac3f",509   "language": "Python",510   "lines": 88,511   "truncated": false,512   "block": 17,513   "row": 24235514  },515  {516   "path": "src/graph_pes/scripts/test.py",517   "sha256": "dd598005a41629a2bed6f93ee83eb2bc75f55e504dbcdaf9fe8c58efe7f3a3f7",518   "language": "Python",519   "lines": 69,520   "truncated": false,521   "block": 17,522   "row": 22394523  },524  {525   "path": "src/graph_pes/scripts/train.py",526   "sha256": "57eb5f9daf20ef85528cb565044b558cc2b21af3ff87959e5e1287732284d2fc",527   "language": "Python",528   "lines": 337,529   "truncated": false,530   "block": 18,531   "row": 759532  },533  {534   "path": "src/graph_pes/scripts/utils.py",535   "sha256": "4f6a9c8328f918c6079392d8db396c449cefc0ea8dd488b918de37ba02c61fcb",536   "language": "Python",537   "lines": 153,538   "truncated": false,539   "block": 17,540   "row": 27864541  },542  {543   "path": "src/graph_pes/torch_sim.py",544   "sha256": "e7cae274e76e2037e9fe3122a8f8ea829a868fc632899a91ade18b210fd8ee57",545   "language": "Python",546   "lines": 125,547   "truncated": false,548   "block": 17,549   "row": 27300550  },551  {552   "path": "src/graph_pes/training/callbacks.py",553   "sha256": "902b263f1d9ae1678fd25296b979d6e3e5c23eebf5049c43097f177085c3cea3",554   "language": "Python",555   "lines": 564,556   "truncated": false,557   "block": 18,558   "row": 2828559  },560  {561   "path": "src/graph_pes/training/loss.py",562   "sha256": "b76e5ad5f009d7e5d0a41c19130b721117bead5ee78526a21bb9eecfc9a336bd",563   "language": "Python",564   "lines": 479,565   "truncated": false,566   "block": 18,567   "row": 1793568  },569  {570   "path": "src/graph_pes/training/opt.py",571   "sha256": "9aeacbc7b88b9ee364508d5b2b24831eda480f6f8e835275403297da44c03516",572   "language": "Python",573   "lines": 216,574   "truncated": false,575   "block": 17,576   "row": 30746577  },578  {579   "path": "src/graph_pes/training/tasks.py",580   "sha256": "d3b8fb51c8be82bc6b448f112f16e0ecd08f90f37abf7eddd3886e0f8c6b3c7b",581   "language": "Python",582   "lines": 506,583   "truncated": false,584   "block": 18,585   "row": 2620586  },587  {588   "path": "src/graph_pes/training/utils.py",589   "sha256": "5f56a3bb5860571c715629e721bee66ce128ef0bbcd2ae9e88c553450c9eef05",590   "language": "Python",591   "lines": 111,592   "truncated": false,593   "block": 17,594   "row": 26446595  },596  {597   "path": "src/graph_pes/utils/analysis.py",598   "sha256": "db1ad14493e8e4ba45e7eec84e125fe5502c0153fb7653ebe41e007ca4a97cb5",599   "language": "Python",600   "lines": 306,601   "truncated": false,602   "block": 17,603   "row": 32050604  },605  {606   "path": "src/graph_pes/utils/calculator.py",607   "sha256": "3ca81b5acc5b9e6220e050b1ed564e599a8ddf21f2ef715f7a0c1bf85d707787",608   "language": "Python",609   "lines": 415,610   "truncated": false,611   "block": 18,612   "row": 1725613  },614  {615   "path": "src/graph_pes/utils/distributed.py",616   "sha256": "12007a6d87bc0b6d66ce7af5726e9ceb35f22de109b39d0fb30cd1dbedf7ba08",617   "language": "Python",618   "lines": 22,619   "truncated": false,620   "block": 17,621   "row": 19240622  },623  {624   "path": "src/graph_pes/utils/lammps.py",625   "sha256": "8f95f50e052771a0783833d08842d3bf8a8fc76d6eb4c19d8a33d55e1354728c",626   "language": "Python",627   "lines": 105,628   "truncated": false,629   "block": 17,630   "row": 25317631  },632  {633   "path": "src/graph_pes/utils/logger.py",634   "sha256": "77a1e7632860acec096e03d18c1629c31ffda45f251f2232860eb85cec6f93fa",635   "language": "Python",636   "lines": 58,637   "truncated": false,638   "block": 17,639   "row": 21932640  },641  {642   "path": "src/graph_pes/utils/misc.py",643   "sha256": "662680600c3775a4ae5661a465142dce136575149b5ee2f092d4ffb4f1a398ba",644   "language": "Python",645   "lines": 541,646   "truncated": false,647   "block": 18,648   "row": 1735649  },650  {651   "path": "src/graph_pes/utils/nn.py",652   "sha256": "043a9704d037fd2fd9a02fa4cbb88b182caf74222243f148e21666aff40c2e8e",653   "language": "Python",654   "lines": 717,655   "truncated": false,656   "block": 18,657   "row": 3596658  },659  {660   "path": "src/graph_pes/utils/sampling.py",661   "sha256": "e3ad9bd3e0bd99ac4eb6c4e300f4a61283207d2202e431e8a8d227a9103ab902",662   "language": "Python",663   "lines": 87,664   "truncated": false,665   "block": 17,666   "row": 24178667  },668  {669   "path": "src/graph_pes/utils/shift_and_scale.py",670   "sha256": "8929118a89f6c9e9d8db9dc738fc266563177f989e092a3226760cdca29d0482",671   "language": "Python",672   "lines": 246,673   "truncated": false,674   "block": 17,675   "row": 31994676  },677  {678   "path": "src/graph_pes/utils/threebody.py",679   "sha256": "7a44846ad844b61142102ce16904734ae9988c6ca57cb2037d8339fb7539ceec",680   "language": "Python",681   "lines": 257,682   "truncated": false,683   "block": 17,684   "row": 31140685  },686  {687   "path": "tests/config/test_config.py",688   "sha256": "0d40be6fafa086467fa74fffd5a7a445e62a81a7b3e367285c9334935140741a",689   "language": "Python",690   "lines": 140,691   "truncated": false,692   "block": 17,693   "row": 27816694  },695  {696   "path": "tests/data/test_ase_datasets.py",697   "sha256": "b62a23d64aa893effa7efebf7544d67af18e9332177ab13e1e55dad1fae32849",698   "language": "Python",699   "lines": 142,700   "truncated": false,701   "block": 17,702   "row": 25670703  },704  {705   "path": "tests/data/test_db.py",706   "sha256": "1fff792eb0659ecce4a6e8ec2182861e8507522efa322040eda4c1a16b50084c",707   "language": "Python",708   "lines": 57,709   "truncated": false,710   "block": 17,711   "row": 21903712  },713  {714   "path": "tests/graphs/test_atomic_graph.py",715   "sha256": "71d11c6687752ccea16b11c9e0b7c44f060e6cc0248cc5c1c15f4b630e415cac",716   "language": "Python",717   "lines": 174,718   "truncated": false,719   "block": 17,720   "row": 28580721  },722  {723   "path": "tests/graphs/test_batching.py",724   "sha256": "c2ba91c81ed19f078e49d54b7e57e2bf61e3bd6e6648f1dc6740babde0732838",725   "language": "Python",726   "lines": 201,727   "truncated": false,728   "block": 17,729   "row": 30027730  },731  {732   "path": "tests/graphs/test_conversions.py",733   "sha256": "c915f2a31f22630981e125d8a2941dc3dad545f497218cb1dcec01b31cdbf204",734   "language": "Python",735   "lines": 38,736   "truncated": false,737   "block": 17,738   "row": 20290739  },740  {741   "path": "tests/graphs/test_threebody.py",742   "sha256": "0309610e8c1845dcca4f653f23845ebe77c848e5781f88a1f5672998b696baa9",743   "language": "Python",744   "lines": 218,745   "truncated": false,746   "block": 17,747   "row": 29965748  },749  {750   "path": "tests/helpers/__init__.py",751   "sha256": "128ae6fcccff9d3e451f4940b574e4bc83a3055b1e3e221be78837c32140fa9b",752   "language": "Python",753   "lines": 160,754   "truncated": false,755   "block": 17,756   "row": 27641757  },758  {759   "path": "tests/models/components/test_aggregation.py",760   "sha256": "a76dac0260fc843807653d6e5517d9f2f016035574121936ac724706e8d1a596",761   "language": "Python",762   "lines": 151,763   "truncated": false,764   "block": 17,765   "row": 27418766  },767  {768   "path": "tests/models/components/test_distances.py",769   "sha256": "3c23fc07087b0eae92c28042c74e7b2f9e6ba438e15e0a2db35b2ff92906e08c",770   "language": "Python",771   "lines": 93,772   "truncated": false,773   "block": 17,774   "row": 23644775  },776  {777   "path": "tests/models/test_correctness.py",778   "sha256": "e7e62f948786bd5a79702b86385a89f1b1210ddb4856068f8b3dd4b93315bce7",779   "language": "Python",780   "lines": 46,781   "truncated": false,782   "block": 17,783   "row": 21388784  },785  {786   "path": "tests/models/test_cutoffs.py",787   "sha256": "08c6f5ddef4bd4a8099d3ce72d83471276b4d865b4b69b992ef9f2828225a982",788   "language": "Python",789   "lines": 117,790   "truncated": false,791   "block": 17,792   "row": 25589793  },794  {795   "path": "tests/models/test_direct_prediction.py",796   "sha256": "82e5bbbdbafc44ec2e0e995be9d7f75c358bf3f98d9ce735478a460b4725f807",797   "language": "Python",798   "lines": 34,799   "truncated": false,800   "block": 17,801   "row": 20462802  },803  {804   "path": "tests/models/test_equivariance.py",805   "sha256": "85b7540d5bea0cf2824a197161c3d36f78673ca1a7466486c0630a933deef716",806   "language": "Python",807   "lines": 85,808   "truncated": false,809   "block": 17,810   "row": 24444811  },812  {813   "path": "tests/models/test_freezing.py",814   "sha256": "5f9d5a409a85948fca80fb1e8e9ab33cbf78ea4d22741d9977fc7c9f7c3c0dc6",815   "language": "Python",816   "lines": 44,817   "truncated": false,818   "block": 17,819   "row": 20783820  },821  {822   "path": "tests/models/test_models.py",823   "sha256": "cd0d00b0225753085f261141753e696082d0d847537d28e4444ab5f21ee24b1e",824   "language": "Python",825   "lines": 242,826   "truncated": false,827   "block": 17,828   "row": 31044829  },830  {831   "path": "tests/models/test_offsets.py",832   "sha256": "e9a65697e6fa7f7bdfa8c6258a9e5b9d5384c4b88e13fa17d62d77c2457def38",833   "language": "Python",834   "lines": 101,835   "truncated": false,836   "block": 17,837   "row": 25247838  },839  {840   "path": "tests/models/test_parameter_counting.py",841   "sha256": "d72797feb09e2acb114dc099ae39ea9d52ff17fc5390123fbdb92dff23229052",842   "language": "Python",843   "lines": 103,844   "truncated": false,845   "block": 17,846   "row": 25001847  },848  {849   "path": "tests/models/test_predictions.py",850   "sha256": "1a0a3316aa768ae5bb4642b8066204c9574142ec445d1c4dc9673857938609b7",851   "language": "Python",852   "lines": 109,853   "truncated": false,854   "block": 17,855   "row": 25744856  },857  {858   "path": "tests/models/test_scripting.py",859   "sha256": "bd50284084fb4b5bb11f4b6508e67714e84ed3819a2aa73faa19624e732bcedf",860   "language": "Python",861   "lines": 27,862   "truncated": false,863   "block": 17,864   "row": 19627865  },866  {867   "path": "tests/models/test_state_dict.py",868   "sha256": "d1c46f2b708eb180e93ee4e84e72a2eeff9465f366a9d112ca40716d66c7a42d",869   "language": "Python",870   "lines": 54,871   "truncated": false,872   "block": 17,873   "row": 21553874  },875  {876   "path": "tests/test_torch_sim.py",877   "sha256": "3029ae8bef27eae9ab499c1c61111f93b5245e05aa5f3ae21f2661e2378fb6bf",878   "language": "Python",879   "lines": 50,880   "truncated": false,881   "block": 17,882   "row": 21274883  },884  {885   "path": "tests/training/test_callbacks.py",886   "sha256": "b3bc19c3b35b1bcb137f8ef11822aa0f6e3cb55fc7f6bc5cdb53192b45815eb3",887   "language": "Python",888   "lines": 40,889   "truncated": false,890   "block": 17,891   "row": 21168892  },893  {894   "path": "tests/training/test_config.py",895   "sha256": "2057cdd27f5da8fe54cfee74585eb1bae68cf79cbca9b9357586e3492f430709",896   "language": "Python",897   "lines": 179,898   "truncated": false,899   "block": 17,900   "row": 29041901  },902  {903   "path": "tests/training/test_integration.py",904   "sha256": "e20dfec66cb89ff5b72a72a77fb44aa535df68e212a9c13d194898613949bd15",905   "language": "Python",906   "lines": 84,907   "truncated": false,908   "block": 17,909   "row": 23793910  },911  {912   "path": "tests/training/test_loss.py",913   "sha256": "9d7cc2e6c1f39a287341573ce68118d4ec62187d906336ad8c1f7d7959e30cdc",914   "language": "Python",915   "lines": 23,916   "truncated": false,917   "block": 17,918   "row": 19060919  },920  {921   "path": "tests/training/test_opt.py",922   "sha256": "149b1e3c70e812a841ea8bb93a5812aad5b9d7a66c1f410697f6421b571b9677",923   "language": "Python",924   "lines": 105,925   "truncated": false,926   "block": 17,927   "row": 25462928  },929  {930   "path": "tests/training/test_pre_fit.py",931   "sha256": "5bb8f44f66e28bbe364cd07d88c287a9a7184131bcb9daa68545b5a6712d54d4",932   "language": "Python",933   "lines": 148,934   "truncated": false,935   "block": 17,936   "row": 27377937  },938  {939   "path": "tests/training/test_train_script.py",940   "sha256": "95caa1044a974f2a889c17b15bb6d5753fbbf765041ed16b375e20adf33ff14e",941   "language": "Python",942   "lines": 205,943   "truncated": false,944   "block": 17,945   "row": 29679946  },947  {948   "path": "tests/utils/test_analysis.py",949   "sha256": "2da4435aff4ad281dc2f5c47f68e7bf0a5a2523dff055b3537087d9d435018fd",950   "language": "Python",951   "lines": 21,952   "truncated": false,953   "block": 17,954   "row": 19018955  },956  {957   "path": "tests/utils/test_auto_offset.py",958   "sha256": "4f79fa1c81d67acf8be57a30c4dc11c8324c3cd2611bd78d4d7f974d42341728",959   "language": "Python",960   "lines": 107,961   "truncated": false,962   "block": 17,963   "row": 25995964  },965  {966   "path": "tests/utils/test_calculator.py",967   "sha256": "6bdc47634dc6c3ce424cfd3425e9cbafdca349bc632f1ccc36e548b3c40b749e",968   "language": "Python",969   "lines": 102,970   "truncated": false,971   "block": 17,972   "row": 25799973  },974  {975   "path": "tests/utils/test_deploy.py",976   "sha256": "e8c7e5dc95681b333005ff999cc01060e5f9fc67fd6ede6f32206ca1c0b9b560",977   "language": "Python",978   "lines": 103,979   "truncated": false,980   "block": 17,981   "row": 25120982  },983  {984   "path": "tests/utils/test_dtypes.py",985   "sha256": "e1c226a33d9712ce34b4785a773b379f58b1bbfd0e5965dd2377b11920f1d5a9",986   "language": "Python",987   "lines": 25,988   "truncated": false,989   "block": 17,990   "row": 19030991  },992  {993   "path": "tests/utils/test_lammps.py",994   "sha256": "9850de9d67525881a56c53567938629cfcc987664e56f48516b4ef9cf4de9332",995   "language": "Python",996   "lines": 64,997   "truncated": false,998   "block": 17,999   "row": 224451000  },1001  {1002   "path": "tests/utils/test_misc.py",1003   "sha256": "bf314f16b65736cc1c5f625c38b6b6f62ba1b4e2b6554de03f38902f80669dea",1004   "language": "Python",1005   "lines": 109,1006   "truncated": false,1007   "block": 17,1008   "row": 251351009  },1010  {1011   "path": "tests/utils/test_multi_sequence.py",1012   "sha256": "8becad5d9db762e3bd91a10693d5885d85ea66fad76af55afcb4c28405cbecc9",1013   "language": "Python",1014   "lines": 44,1015   "truncated": false,1016   "block": 17,1017   "row": 203361018  },1019  {1020   "path": "tests/utils/test_nn.py",1021   "sha256": "fcc9b78cd6978dc7f00b4c57e70b52559cd8aca6f847a77bb45a685f4979b169",1022   "language": "Python",1023   "lines": 168,1024   "truncated": false,1025   "block": 17,1026   "row": 271321027  },1028  {1029   "path": "tests/utils/test_sampling.py",1030   "sha256": "66a5dfb73ec6cac1c0240a183144e3793b7e1cf0458e695b5904c02eed6813d9",1031   "language": "Python",1032   "lines": 109,1033   "truncated": false,1034   "block": 17,1035   "row": 249671036  }1037 ]1038}