PatWalters/practical_cheminformatics_tutorials

The official sources for the RDKit library

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Message Passing Neural Networks for Molecule Property Prediction

FAIR Chemistry's library of machine learning methods for chemistry

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Graphormer is a general-purpose deep learning backbone for molecular modeling.

PyTorch tutorials.

Open-source AI cookbook

Python tutorials in both Jupyter Notebook and youtube format.