🦠 A comprehensive R package for deep mining microbiome

💎 An easy-to-use workflow for generating context specific genome-scale metabolic models and predicting metabolic interactions within microbial communities directly from metagenomic data

Protein Graph Library

Message Passing Neural Networks for Molecule Property Prediction

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

A curated list of Python packages related to chemistry

RDKit blog

Materials from the 2016 RDKit UGM

Conda build recipe for the rdkit

Tutorials to learn how to work with the RDKit

Python Data Science Handbook: full text in Jupyter Notebooks