openbabel — Expert Playground

Chemical toolbox: format conversion, search, fingerprints

openbabel expert patternsRun locally

Install

conda install -c conda-forge openbabel

Python CodeRun locally

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

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

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

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

Expert-level openbabel 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 openbabel