Introduction to RDKit

This repository contains an overview of RDKit for drug discovery.

• Introduction to RDKit
  • A subset of Getting Started with the RDKit in Python document
• RDKit Advanced
  • Mostly about a set of visualization functions provided by RDKit
  • Picking Diverse Molecules Using Fingerprints with SimDivFilters
  • Generating Similarity Maps Using Fingerprints
  • Highlighting functional groups
  • Scaffold Network