AGRA

Automatic graph representation algorithm for heterogeneous catalysis

Name		Name	Last commit message	Last commit date
Latest commit History 10 Commits
CO2RR		CO2RR
Figures		Figures
data		data
.DS_Store		.DS_Store
ALIGNN_trainer.ipynb		ALIGNN_trainer.ipynb
CGCNN_CO2RR.ipynb		CGCNN_CO2RR.ipynb
O_small_full.zip		O_small_full.zip
README.md		README.md

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