Biology Tutorials

Hands-on notebooks for drug discovery and computational biology.

Drug Discovery

TeachOpenCADD — Drug Discovery Track

projects.volkamerlab.org/teachopencadd/talktorials.html

Talktorials T011-T022 cover advanced drug discovery topics:

Talktorial	Topic
T011-T014	Binding site detection, docking
T015-T018	ADMET prediction
T019-T022	Advanced ML for drug discovery

Practical Cheminformatics — Drug Discovery

github.com/PatWalters/practical_cheminformatics_tutorials

Notebooks covering QSAR, active learning, and practical drug discovery workflows.

Tutorial Directory

Tutorial	Topics	Format
TeachOpenCADD T011-T022	Docking, binding sites, ADMET	Jupyter
Practical Cheminformatics	QSAR, active learning	Jupyter
DeepChem Tutorials	Molecular property prediction	Jupyter
AI in Drug Discovery Course	Toxicity, QSAR	Jupyter

Running Tutorials


# Create environment
conda create -n drugdiscovery python=3.10
conda activate drugdiscovery
 
# Install dependencies
pip install rdkit deepchem jupyter pandas scikit-learn