rdkit — Intermediate Playground

Cheminformatics: molecule manipulation, fingerprints, descriptors

rdkit intermediate patternsRun locally

Install

conda install -c conda-forge rdkit

Python CodeRun locally

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

# Intermediate rdkit usage
# Real-world patterns and configuration
print("rdkit intermediate patterns")

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

# Intermediate rdkit usage
# Real-world patterns and configuration
print("rdkit intermediate patterns")

These patterns demonstrate how rdkit is used in production applications.

Challenge

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

View all Intermediate examples for rdkit