Metadata-Version: 2.1
Name: catbench
Version: 0.1.17
Summary: CatBench: Benchmark of Graph Neural Networks for Adsorption Energy Predictions in Heterogeneous Catalysis
Home-page: https://github.com/JinukMoon/catbench
Author: JinukMoon
Author-email: jumoon@snu.ac.kr
License: MIT
Keywords: GNN benchmarking for catalysis
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: ase>=3.22.1
Requires-Dist: xlsxwriter>=3.2.0
Requires-Dist: numpy==1.26

# CatBench
Benchmark of Graph Neural Networks for Adsorption Energy Predictions in Heterogeneous Catalysis
