rdkit — Expert Playground

Cheminformatics: molecule manipulation, fingerprints, descriptors

rdkit expert patternsRun locally

Install

conda install -c conda-forge rdkit

Python CodeRun locally

# Install: conda install -c conda-forge rdkit
import rdkit

# Expert-level rdkit usage
# Performance optimization and internals
print("rdkit expert patterns")

# Install: conda install -c conda-forge rdkit
import rdkit

# Expert-level rdkit usage
# Performance optimization and internals
print("rdkit expert patterns")

Expert-level rdkit usage for performance-critical and production-grade applications.

Challenge

Try modifying the code above to explore different behaviors. Can you extend the example to handle a new use case?

View all Expert examples for rdkit