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
Dec 11, 2023 - Jupyter Notebook