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/openfreeenergy/alchemiscale",4 "url": "https://github.com/OpenFreeEnergy/alchemiscale/tree/v0.7.1",5 "host": "github.com",6 "commit": "ace1e3d290ab998751dfafc078980fa981a98e67",7 "license": "MIT",8 "license_confirmed_by": "license file LICENSE",9 "redistribution": "yes",10 "files": [11 {12 "path": "LICENSE",13 "sha256": "0398d558bec2ce647e0d9e76e69379cb48801f66a52842598682d86d4829edb4",14 "language": "License",15 "lines": 230,16 "truncated": false,17 "block": 9,18 "row": 290619 },20 {21 "path": "README.md",22 "sha256": "f8bd330bd8d8b8d93f66b3fac83c57e6336980d20a8123b6c9b9956735b6345d",23 "language": "Text",24 "lines": 18,25 "truncated": false,26 "block": 9,27 "row": 1451928 },29 {30 "path": "alchemiscale/__init__.py",31 "sha256": "d8d43379653ac0a8bca73f2e100a756f56747db06ef6fa28953bffbe1c11e21c",32 "language": "Python",33 "lines": 6,34 "truncated": false,35 "block": 9,36 "row": 640837 },38 {39 "path": "alchemiscale/base/api.py",40 "sha256": "35ee4a9ea76bace723db39e8b09329155993bbe8a13ad8fe0367595ee0828138",41 "language": "Python",42 "lines": 275,43 "truncated": false,44 "block": 9,45 "row": 1059246 },47 {48 "path": "alchemiscale/base/client.py",49 "sha256": "90d426e6659ed00168447f8914b3c1d39c6530b3ef4127b7579cd17690f8bb43",50 "language": "Python",51 "lines": 685,52 "truncated": false,53 "block": 9,54 "row": 1204155 },56 {57 "path": "alchemiscale/cli.py",58 "sha256": "2d39eafb21b000485b39e57f2c3fa8fbfdfb0ee164691317b1fa9b4b1cda94b2",59 "language": "Python",60 "lines": 684,61 "truncated": false,62 "block": 9,63 "row": 1179364 },65 {66 "path": "alchemiscale/cli_utils.py",67 "sha256": "c85a3b1d5182cc0f39cae7ae53a487b59f81fc7d57236f50824879ac874c62bb",68 "language": "Python",69 "lines": 31,70 "truncated": false,71 "block": 9,72 "row": 702973 },74 {75 "path": "alchemiscale/compression.py",76 "sha256": "fcf365a19e7a731750fc208bc8fb7ad20546b57947e56025fce6f2f967df4b46",77 "language": "Python",78 "lines": 100,79 "truncated": false,80 "block": 9,81 "row": 847482 },83 {84 "path": "alchemiscale/compute/__init__.py",85 "sha256": "bf610ce1e69936385bc9f3ebfce8c486cb0d05f2c7fb5198a55866564e608c59",86 "language": "Python",87 "lines": 1,88 "truncated": false,89 "block": 9,90 "row": 612891 },92 {93 "path": "alchemiscale/compute/api.py",94 "sha256": "84e8214192f5e687ab633cd799530c207d44de4dc2ee0ca4af0d7b29cb7c0d20",95 "language": "Python",96 "lines": 585,97 "truncated": false,98 "block": 9,99 "row": 11756100 },101 {102 "path": "alchemiscale/compute/client.py",103 "sha256": "e525bde98cba0fe1fdb899b9ab22c2d8263619fe8602d9826be63bc148f9f159",104 "language": "Python",105 "lines": 246,106 "truncated": false,107 "block": 9,108 "row": 10490109 },110 {111 "path": "alchemiscale/compute/manager.py",112 "sha256": "a0b385fd133758379d2ea01c064ddf3449efec6264b4b22381f339c4c0cd8626",113 "language": "Python",114 "lines": 306,115 "truncated": false,116 "block": 9,117 "row": 11075118 },119 {120 "path": "alchemiscale/compute/service.py",121 "sha256": "9224bdd2ec93e77557da5dd6839e369bfc75f3bc9a1acd6ba57c8d3a58231203",122 "language": "Python",123 "lines": 453,124 "truncated": false,125 "block": 9,126 "row": 11509127 },128 {129 "path": "alchemiscale/compute/settings.py",130 "sha256": "84dbb82b59f9a585578333868d91fec81e4fe06d70e3e289c329a8831d2c5a3d",131 "language": "Python",132 "lines": 212,133 "truncated": false,134 "block": 9,135 "row": 10393136 },137 {138 "path": "alchemiscale/compute/signals.py",139 "sha256": "83a74ced1f51ac1e12f6cc4f821cec7cb73dea907c8b97d9f2d14248b34fa52b",140 "language": "Python",141 "lines": 75,142 "truncated": false,143 "block": 9,144 "row": 8410145 },146 {147 "path": "alchemiscale/interface/__init__.py",148 "sha256": "581dac922c644a06de6b06fd5c7e819f8cf0953346c6dc36e8651256536ca9d8",149 "language": "Python",150 "lines": 1,151 "truncated": false,152 "block": 9,153 "row": 6134154 },155 {156 "path": "alchemiscale/interface/api.py",157 "sha256": "68b23b5e8abaecf2965e57d442a72225fe1f28ae779908363a14745db68a9485",158 "language": "Python",159 "lines": 1323,160 "truncated": false,161 "block": 9,162 "row": 12396163 },164 {165 "path": "alchemiscale/interface/client.py",166 "sha256": "da371ccf4f2172efd2ee98dc2618522c35a71f091460cefeb86a86a92560c2ae",167 "language": "Python",168 "lines": 2260,169 "truncated": false,170 "block": 9,171 "row": 12612172 },173 {174 "path": "alchemiscale/migrations/v03_to_v04.py",175 "sha256": "888778ddbcbe0abdb3d2df4c352bb02974ff9552f2eb86637bacb34c5b49e689",176 "language": "Python",177 "lines": 37,178 "truncated": false,179 "block": 9,180 "row": 7141181 },182 {183 "path": "alchemiscale/models.py",184 "sha256": "5462349d65e79f08430a5daedab337fa2e7415498208819b063e754df8e7ccee",185 "language": "Python",186 "lines": 252,187 "truncated": false,188 "block": 9,189 "row": 10337190 },191 {192 "path": "alchemiscale/security/auth.py",193 "sha256": "2a7035cf6728e6d1f1b209b352175eda3bd597097c7f8558e23a8c451f91e63f",194 "language": "Python",195 "lines": 139,196 "truncated": false,197 "block": 9,198 "row": 9162199 },200 {201 "path": "alchemiscale/security/models.py",202 "sha256": "6e2aafef54a47e90a8e38ed799a19c4ff26511c8ddf4b6f2f184e3ef6876bb38",203 "language": "Python",204 "lines": 71,205 "truncated": false,206 "block": 9,207 "row": 7680208 },209 {210 "path": "alchemiscale/settings.py",211 "sha256": "c152b3abaf893c24c026e86c683d5e6922f9b6596489cb9a2d1c77fa16260b7f",212 "language": "Python",213 "lines": 117,214 "truncated": false,215 "block": 9,216 "row": 8428217 },218 {219 "path": "alchemiscale/sleep.py",220 "sha256": "cc0f4b7f5983cf7a8a63a7b8235cc2ab5c9534dd3f7d5c6de6e44a113913a003",221 "language": "Python",222 "lines": 50,223 "truncated": false,224 "block": 9,225 "row": 7475226 },227 {228 "path": "alchemiscale/storage/cypher.py",229 "sha256": "c31d3d9d30f1718957175708a3fc5d963fe6e13bc38092739c9134248402a119",230 "language": "Python",231 "lines": 164,232 "truncated": false,233 "block": 9,234 "row": 9276235 },236 {237 "path": "alchemiscale/storage/models.py",238 "sha256": "820fb7b62fc5a97a760d78ac8de255c4fbbe818f09ba1f9ec439a43b6f144c61",239 "language": "Python",240 "lines": 608,241 "truncated": false,242 "block": 9,243 "row": 11543244 },245 {246 "path": "alchemiscale/storage/objectstore.py",247 "sha256": "bb43146c0418885caec70f9d8b1a377d69bc95a6da9b33448ec3d1392112224a",248 "language": "Python",249 "lines": 299,250 "truncated": false,251 "block": 9,252 "row": 10702253 },254 {255 "path": "alchemiscale/storage/statestore.py",256 "sha256": "f5a630fb8034736bc02c7f3c1f54a3b42180ce2551346ccf349b0909949cf2f5",257 "language": "Python",258 "lines": 4344,259 "truncated": false,260 "block": 9,261 "row": 12684262 },263 {264 "path": "alchemiscale/storage/subgraph.py",265 "sha256": "2b6b247b08c64d9be5e243726ca244fe8e361854f1717583e3e49af4ed560d03",266 "language": "Python",267 "lines": 157,268 "truncated": false,269 "block": 9,270 "row": 9625271 },272 {273 "path": "alchemiscale/strategist/__init__.py",274 "sha256": "cafab7300073dde4ef2dd441e7f5105ef268322d0385081a2810ac091954ebf5",275 "language": "Python",276 "lines": 11,277 "truncated": false,278 "block": 9,279 "row": 6540280 },281 {282 "path": "alchemiscale/strategist/service.py",283 "sha256": "085330f741d221145e2b8972a2a2a8fffa022a00ad347676bbe1be0829f5d23e",284 "language": "Python",285 "lines": 719,286 "truncated": false,287 "block": 9,288 "row": 12172289 },290 {291 "path": "alchemiscale/strategist/settings.py",292 "sha256": "6eb08d44c0b45496e000de1081143d18b3ba0325fce597951f0bfb3cf18b3070",293 "language": "Python",294 "lines": 49,295 "truncated": false,296 "block": 9,297 "row": 7737298 },299 {300 "path": "alchemiscale/tests/integration/compute/client/conftest.py",301 "sha256": "ef2fcf874c8d4aeb29f0e4d644d320d14c88e6365f34520a7cc132bb854b9bcc",302 "language": "Python",303 "lines": 116,304 "truncated": false,305 "block": 9,306 "row": 8954307 },308 {309 "path": "alchemiscale/tests/integration/compute/client/test_compute_client.py",310 "sha256": "af4411b5dabe9fdda4b666ad98372e4499271deef8e6d8630fe5965a50fa7071",311 "language": "Python",312 "lines": 541,313 "truncated": false,314 "block": 9,315 "row": 11708316 },317 {318 "path": "alchemiscale/tests/integration/compute/client/test_compute_manager.py",319 "sha256": "899c780dfd2b0a33d27dbf4c8586b6aae36753a3703f597bf79d234a171bc1e1",320 "language": "Python",321 "lines": 353,322 "truncated": false,323 "block": 9,324 "row": 11121325 },326 {327 "path": "alchemiscale/tests/integration/compute/client/test_compute_manager_client.py",328 "sha256": "f76fcea0bdd41bf67671d7bfa63f98de49d6d3b8538b7ad80f22cf4d0788f8ad",329 "language": "Python",330 "lines": 241,331 "truncated": false,332 "block": 9,333 "row": 10506334 },335 {336 "path": "alchemiscale/tests/integration/compute/client/test_compute_service.py",337 "sha256": "5d8f98af29622384c6543c517242e236a2b20a7652dec4d0097ad4513e59e120",338 "language": "Python",339 "lines": 418,340 "truncated": false,341 "block": 9,342 "row": 11430343 },344 {345 "path": "alchemiscale/tests/integration/compute/conftest.py",346 "sha256": "f7d9c15fa8a7c2965269910304d18ad1472dbf090ee5342faf854b5ebb37e3af",347 "language": "Python",348 "lines": 196,349 "truncated": false,350 "block": 9,351 "row": 9881352 },353 {354 "path": "alchemiscale/tests/integration/compute/test_compute_api.py",355 "sha256": "d5e0e252f7587e47b8f54585dff58e1c08b8c1a3b32e43773273ee46049db810",356 "language": "Python",357 "lines": 225,358 "truncated": false,359 "block": 9,360 "row": 10437361 },362 {363 "path": "alchemiscale/tests/integration/compute/utils.py",364 "sha256": "b3fe6ce489d1b4019f4fda939dba07f6498605c963dd5fb91bcd386524496904",365 "language": "Python",366 "lines": 12,367 "truncated": false,368 "block": 9,369 "row": 6649370 },371 {372 "path": "alchemiscale/tests/integration/conftest.py",373 "sha256": "4661d7c78356df6d1c5100c61e4f67d7fc3a142909c52e6c9c0897519e9f8b60",374 "language": "Python",375 "lines": 614,376 "truncated": false,377 "block": 9,378 "row": 11685379 },380 {381 "path": "alchemiscale/tests/integration/interface/client/conftest.py",382 "sha256": "c159cd2f1157a2e531df7c221e8d66fe13fcc8660de60764a0c73ab11a362f96",383 "language": "Python",384 "lines": 100,385 "truncated": false,386 "block": 9,387 "row": 8523388 },389 {390 "path": "alchemiscale/tests/integration/interface/client/test_client.py",391 "sha256": "1ed18717fba2af9737daeb58d9bd8e3dd555d18846a946c5227a1ad23f467e3e",392 "language": "Python",393 "lines": 3005,394 "truncated": false,395 "block": 9,396 "row": 12660397 },398 {399 "path": "alchemiscale/tests/integration/interface/conftest.py",400 "sha256": "9fa4302cafbc0649447814ffd615b03be139638810f0b706e31d6aee3e2ad0da",401 "language": "Python",402 "lines": 124,403 "truncated": false,404 "block": 9,405 "row": 8872406 },407 {408 "path": "alchemiscale/tests/integration/interface/test_api.py",409 "sha256": "745f15fa27aeace3f11ad81505d2b44b21a7666289b51adc10e3c032d8a53d93",410 "language": "Python",411 "lines": 312,412 "truncated": false,413 "block": 9,414 "row": 10938415 },416 {417 "path": "alchemiscale/tests/integration/interface/utils.py",418 "sha256": "a9f47c84a12e3823b5aeeddbf7a3d6ab251bcb545c45f992c0bc02c1f3d167f1",419 "language": "Python",420 "lines": 11,421 "truncated": false,422 "block": 9,423 "row": 6575424 },425 {426 "path": "alchemiscale/tests/integration/storage/test_objectstore.py",427 "sha256": "8838b9f8842718e2f2b3c996a6674ab1d6a5063a9b85e37b882def19e4d52d7c",428 "language": "Python",429 "lines": 70,430 "truncated": false,431 "block": 9,432 "row": 8240433 },434 {435 "path": "alchemiscale/tests/integration/storage/test_statestore.py",436 "sha256": "29eca1849650deee1ed60742b2b5f6b623c6c51858ea83997a4718e1a6836fa7",437 "language": "Python",438 "lines": 4093,439 "truncated": false,440 "block": 9,441 "row": 12683442 },443 {444 "path": "alchemiscale/tests/integration/storage/utils.py",445 "sha256": "b85db64d8c7a9307d9a0297a2d82f02e96a52ef9386ada4a3aa0cba1c50b64aa",446 "language": "Python",447 "lines": 103,448 "truncated": false,449 "block": 9,450 "row": 8408451 },452 {453 "path": "alchemiscale/tests/integration/strategist/test_strategist_service.py",454 "sha256": "f49380a590cad531039068f7d87ba0bd1fabf4f9faab4295cc7258132efb1680",455 "language": "Python",456 "lines": 417,457 "truncated": false,458 "block": 9,459 "row": 11507460 },461 {462 "path": "alchemiscale/tests/integration/test_cli.py",463 "sha256": "754345804e5721b44972b3b0fbf47e187dce73ce8912881fa197ee8666edd4bf",464 "language": "Python",465 "lines": 611,466 "truncated": false,467 "block": 9,468 "row": 11604469 },470 {471 "path": "alchemiscale/tests/integration/utils.py",472 "sha256": "26aaf6bb98b2fedfc3289c476b905fc572de9631f57e0678c8f6033472d7f28f",473 "language": "Python",474 "lines": 33,475 "truncated": false,476 "block": 9,477 "row": 6928478 },479 {480 "path": "alchemiscale/tests/unit/compute/test_manager.py",481 "sha256": "635d9ca128f75cb7d4dee3d28a4273d337b115e5cdc554e63c9cee399e89dbb1",482 "language": "Python",483 "lines": 127,484 "truncated": false,485 "block": 9,486 "row": 9433487 },488 {489 "path": "alchemiscale/tests/unit/compute/test_settings.py",490 "sha256": "61c753167e9f4d6058f34677ed2eac5f0295af9f35924baf1e19e9ee44a0276f",491 "language": "Python",492 "lines": 37,493 "truncated": false,494 "block": 9,495 "row": 7353496 },497 {498 "path": "alchemiscale/tests/unit/compute/test_signals.py",499 "sha256": "08a3dd5fac7387470b2d0283853e4c4291ec4c4fc897b4dd7c01919094833d6a",500 "language": "Python",501 "lines": 94,502 "truncated": false,503 "block": 9,504 "row": 8341505 },506 {507 "path": "alchemiscale/tests/unit/conftest.py",508 "sha256": "28d2b27ebcfab9e1341b392c104ddf7a4dfabcc9b9d43b69c96df729de89c693",509 "language": "Python",510 "lines": 67,511 "truncated": false,512 "block": 9,513 "row": 7855514 },515 {516 "path": "alchemiscale/tests/unit/test_base_api.py",517 "sha256": "8b52e989e91a0a95ee17d8ddb5c0da8b22edcaf535722e42c932ce904bf75950",518 "language": "Python",519 "lines": 100,520 "truncated": false,521 "block": 9,522 "row": 8481523 },524 {525 "path": "alchemiscale/tests/unit/test_client_params.py",526 "sha256": "c425983b86eea395dc65de1f0977a76e247d69b2f7410b773288724d9bc546e8",527 "language": "Python",528 "lines": 181,529 "truncated": false,530 "block": 9,531 "row": 9895532 },533 {534 "path": "alchemiscale/tests/unit/test_cypher.py",535 "sha256": "b4de2dfe343fc427b2674e6b2673fde4f3ce3af6b444f1fe92dea3680ff7796b",536 "language": "Python",537 "lines": 20,538 "truncated": false,539 "block": 9,540 "row": 6811541 },542 {543 "path": "alchemiscale/tests/unit/test_models.py",544 "sha256": "5433897b17b7e2ebb0177d10e32e1c764ebd551a8a1fdca573dc67bdff555274",545 "language": "Python",546 "lines": 135,547 "truncated": false,548 "block": 9,549 "row": 9124550 },551 {552 "path": "alchemiscale/tests/unit/test_security.py",553 "sha256": "c3f6366ff6d3e1ce894da157ce7e7ef9d625d835d7f2db30a869f64dc0ec0b44",554 "language": "Python",555 "lines": 65,556 "truncated": false,557 "block": 9,558 "row": 7977559 },560 {561 "path": "alchemiscale/tests/unit/test_statestore.py",562 "sha256": "6b6d33c5b0d7b954ae31ee35343b43723d171047f227976d9e234ce296617d6c",563 "language": "Python",564 "lines": 99,565 "truncated": false,566 "block": 9,567 "row": 8898568 },569 {570 "path": "alchemiscale/tests/unit/test_storage_models.py",571 "sha256": "11fec47f55e43c205560c5d596517e64e69bee0c5c3c40200674daab6c8968f5",572 "language": "Python",573 "lines": 498,574 "truncated": false,575 "block": 9,576 "row": 11715577 },578 {579 "path": "alchemiscale/tests/unit/test_utils.py",580 "sha256": "9a2e24afc4203f2dee12f805955087f9d20189da8eeabdd0f648910d30ccf818",581 "language": "Python",582 "lines": 78,583 "truncated": false,584 "block": 9,585 "row": 8041586 },587 {588 "path": "alchemiscale/tests/unit/test_validators.py",589 "sha256": "9c43694c95d07e371cb1f35d9772643e5d25ac52bc4f8945da4092435eeec597",590 "language": "Python",591 "lines": 64,592 "truncated": false,593 "block": 9,594 "row": 7803595 },596 {597 "path": "alchemiscale/utils.py",598 "sha256": "117fe877a2a6189b36f01c696e07e71ebdc5ab358ab2ab5539568b34cb0a4367",599 "language": "Python",600 "lines": 128,601 "truncated": false,602 "block": 9,603 "row": 8972604 },605 {606 "path": "alchemiscale/validators.py",607 "sha256": "0a85ddb9a2b697b940ecb8a52e20e475577e312f166f4813dbfd975c58a8f215",608 "language": "Python",609 "lines": 25,610 "truncated": false,611 "block": 9,612 "row": 6998613 },614 {615 "path": "docs/conf.py",616 "sha256": "6d080203e9cfd29acdb0e6e88150b05f709dedf9bacb743d710d99ea5ce15012",617 "language": "Python",618 "lines": 89,619 "truncated": false,620 "block": 9,621 "row": 8071622 },623 {624 "path": "docs/tutorials/demo/Alchemiscale Demo.ipynb",625 "sha256": "69c21bf9ecc5f522b15074537b2d28cc0ac57c3f20dace03cf9542166a931635",626 "language": "Jupyter",627 "lines": 663,628 "truncated": false,629 "block": 9,630 "row": 2667631 }632 ]633}