ML_ChemInformatics

Practice Machine Learning applications in drug discovery and optimization

Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
catboost_info		catboost_info
.DS_Store		.DS_Store
Clustering with the Butina algorithm.ipynb		Clustering with the Butina algorithm.ipynb
P450_2d6 screen.ipynb		P450_2d6 screen.ipynb
P450_2d6_binary.csv		P450_2d6_binary.csv
README.md		README.md