This repository contains notebooks for the workshop Python for Cheminformatics-Driven Molecular Docking held on May 1, 2025 in collaboration with the RCSB Protein Data Bank.
The notebooks for this workshop were designed to work with Google Colab. Open the notebooks in Colab by clicking the links below.
01 - Digital Representations of Molecules
02 - Exploring Chemical and Biological Data With BidingDB and the RDKit