oddt / notebooks Public

Open Drug Discovery Toolkit (ODDT) Notebooks 101

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Name		Name	Last commit message	Last commit date
Latest commit History 9 Commits
xiap		xiap
.gitignore		.gitignore
DUD-E.ipynb		DUD-E.ipynb
Drawing_Molecules.ipynb		Drawing_Molecules.ipynb
LICENSE		LICENSE
PDBbind.ipynb		PDBbind.ipynb
PLEC_fingerprints.ipynb		PLEC_fingerprints.ipynb
README.md		README.md
Shape_comparison.ipynb		Shape_comparison.ipynb
Surface_plots.ipynb		Surface_plots.ipynb
environment.yml		environment.yml