This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches at the University of Antwerp (Belgium)
python machine-learning course cheminformatics virtual-machine molecular-dynamics computational-chemistry maestro molecular-dynamics-simulation glide drug-discovery rdkit drug-design schrodinger virtual-screening molecular-mechanics pharmacophore-modelling universiteit-antwerpen drug-receptor-interaction
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Updated
Nov 18, 2024 - Jupyter Notebook