fgutils

View on PyPIReverse Dependencies (3)

0.2.3 fgutils-0.2.3-py3-none-any.whl

Wheel Details

Project: fgutils
Version: 0.2.3
Filename: fgutils-0.2.3-py3-none-any.whl
Download: [link]
Size: 56965
MD5: 4673f038069627658c90d24d3f63c01e
SHA256: 0d86b99d02744d3fd2d63963cc198f44c0afecd0815312cb200a737aca6d5646
Uploaded: 2025-03-15 12:45:37 +0000

dist-info

METADATA

Metadata-Version: 2.4
Name: fgutils
Version: 0.2.3
Summary: Library to get functional groups from molecular graphs.
Author-Email: Klaus Weinbauer <klaus[at]bioinf.uni-leipzig.de>
Project-Url: homepage, https://github.com/klausweinbauer/FGUtils
Project-Url: source, https://github.com/klausweinbauer/FGUtils
Project-Url: issues, https://github.com/klausweinbauer/FGUtils/issues
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.11
Requires-Dist: networkx (>=3.2)
Requires-Dist: numpy (>=1.26.3)
Requires-Dist: rdkit (>=2023.9.4)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1316 characters]

WHEEL

Wheel-Version: 1.0
Generator: hatchling 1.27.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
fgutils/__init__.py sha256=BATdd1KRxFUeJezQrt2wTX9n5NYwLcW5k-DNBlemBWA 129
fgutils/const.py sha256=YH1Lz6v-xJOMD8201R_r03UCF6cK50RPVByEz5fvgsU 622
fgutils/fgconfig.py sha256=Ry0mJVuWbTibK50WIuYWwhFziIjouGnFMpFbo2gqE3E 12168
fgutils/its.py sha256=Ig9C5O2v32EwRKmL8b6fX47BKJMSLrRWqfqyvTsHTI0 8332
fgutils/parse.py sha256=1BKLkOLImmCx9nYRWxNIO62uSHw1KjBv44rmoGvjAF0 7135
fgutils/permutation.py sha256=VHJkKzE5ktFcKdKib-FTD_yM7wovWuda5KjJCQNDlek 7781
fgutils/proxy.py sha256=YIujoHjDDQwXlpW0GqInAOo3wBad3WYf4-49CzRFmoE 20530
fgutils/query.py sha256=8dhBxMr3wQXSdlk2IFbo1fKUitT_buPg0PFSnzNR7GU 6227
fgutils/rdkit.py sha256=2O6UKvZnZPYHQbk44T83LqeaJ_zTLVvbEl1JROhzChA 6116
fgutils/utils.py sha256=iDq1zldrz7bBZli0CUDVEUlJtrEIwmTQaaieBpJXD6I 7268
fgutils/algorithm/__init__.py sha256=K2p9RUgzDoKRfBHZRzCd4_r70hhb8uD5Ppr18uzKBF4 148
fgutils/algorithm/subgraph.py sha256=eUF_5hVlUgc8Nn9oYUlOBodn9KLi1uMraq-4tjRiqmo 8013
fgutils/algorithm/subgraph_enumeration.py sha256=JC0dot_hg8roSphML5j5tfUbYnSw0m_TuuaPrn0o3tM 2321
fgutils/chem/ps.py sha256=1RScBlEGZo0LlPWhFTrxGZPoPxX2Py4niIqX6RNQ9Go 19572
fgutils/data/RawTUDataset.py sha256=_mo-4guuOu8F1vSCtFAiDXHLA-eCtO6-J-dyVgl5ePI 6395
fgutils/data/__init__.py sha256=evlcKNw47VxkH6qZUdWRK3ZrwEFJzbwLeXqY8E8uwQs 39
fgutils/data/loader.py sha256=ZCYg0WgP9icMmjJZ8ri4_8xt-z2sFF9LCM5lq7n-eKk 4116
fgutils/proxy_collection/__init__.py sha256=U1VkNt4FcL1iNxmwDWGJVmbDZAjLcagDbDKNsbBO7Ps 47
fgutils/proxy_collection/common.py sha256=95p0WzDJF6caqw30rx6Dy1pS13Iqqg5HsmfpkHFEZes 5785
fgutils/proxy_collection/diels_alder_proxy.py sha256=TAIFoMA85UXxWwjjZ2YjeyigcTzxtkETaicnhzmK7l8 9387
fgutils/synthesis/__init__.py sha256=PSATEm9TsXP5guUD3dCTeCbe3VFd4pppfIXkkzxj2xo 55
fgutils/synthesis/rule_application.py sha256=jkeDDUG2o2guRBx5BqspYj7yz2XXOqkNxYipu3KgHcI 8568
fgutils/torch/ITSDataset.py sha256=MVCP4uxN0tCRsm6UB4VGOMoJnyKD2uoKnULNxOe4VZw 2834
fgutils/torch/TUDataset.py sha256=EH78Uaztdpt0Fd-575wj0-ouAwFtQeOKNfxveiWT-Mg 10275
fgutils/torch/__init__.py sha256=rAtQqTOopqxUX-OajYuez3DeRkHjrnvFGlGO7kygK-I 209
fgutils/torch/graph.py sha256=GYsu-I4QDmSx78J6jhXrIG-c6yFrCHDx7njY2WYbAuY 2483
fgutils/torch/utils.py sha256=xpj3j6D1K1WMEey-OSdQSD1lJdDQ7oCmgU7aIGtl-uE 9966
fgutils/vis/__init__.py sha256=nmykzRnqnA21W1ysOYFkdR3FiHW6jltezZDMoU9n4jk 95
fgutils/vis/common.py sha256=airaa2aY_-204QAF6rcw49vkDfm-HGsJjDCg6x_gZVs 13541
fgutils/vis/svg.py sha256=CpA2Ke7_anUq7jftOmnKvZmDSZpoEjYrLKKOuT6uyFs 5270
fgutils-0.2.3.dist-info/METADATA sha256=G-8UOmYDM811pHomN51WDoX9ojM_nlY07eZ0UNrnfbg 2013
fgutils-0.2.3.dist-info/WHEEL sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ 87
fgutils-0.2.3.dist-info/licenses/LICENSE sha256=c8_cZ9eFuHnXSzqMGDEFAndc1LnNtmt1VUERj3XzuwA 1072
fgutils-0.2.3.dist-info/RECORD