Metadata-Version: 2.1
Name: fgutils
Version: 0.0.4
Summary: Library to get functional groups from molecular graphs.
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
Author-email: Klaus Weinbauer <klaus@bioinf.uni-leipzig.de>
License-File: LICENSE
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.11
Requires-Dist: networkx>=3.2.1
Requires-Dist: numpy>=1.26.3
Description-Content-Type: text/markdown

FGUtils is a collection of utility functions for querying functional groups in molecules from their molecular graph representation.
