Metadata-Version: 2.4
Name: graphatoms
Version: 1.1.1
Summary: The Chemical Core Class for Graph Theory Analysis.
Keywords: chemistry,graph theory,reaction,event,KMC
Author: LiuGaoyong
Author-email: LiuGaoyong <liugaoyong_88@163.com>
License-Expression: GPL-3.0-or-later
License-File: src/LICENSE
Classifier: Development Status :: 5 - Production/Stable
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Requires-Dist: ase
Requires-Dist: pymatgen>2023.6
Requires-Dist: rdkit>=2025
Requires-Dist: scikit-learn>=1.5
Requires-Dist: pyarrow
Requires-Dist: igraph>=0.11
Requires-Dist: h5py>=3.16
Requires-Dist: hydra-core
Requires-Dist: numpydantic
Requires-Dist: pydantic>=2.11
Requires-Dist: python-snappy>=0.7.3
Requires-Dist: tomli ; python_full_version < '3.11'
Requires-Dist: tomli-w
Requires-Dist: typing-extensions
Requires-Dist: loguru
Requires-Python: >=3.10
Project-URL: Homepage, https://github.com/LiuGaoyong/GraphAtoms
Project-URL: Repository, https://github.com/LiuGaoyong/GraphAtoms
Project-URL: Issues, https://github.com/LiuGaoyong/GraphAtoms/issues/
Description-Content-Type: text/markdown

# graphatoms

The Chemical Core Class for Graph Theory Analysis & Graph Neural Network.
