rdkit
Package — ScientificPython 3.7+Expert
Cheminformatics: molecule manipulation, fingerprints, descriptors
Quick Info
- Documentation
- Official Docs
- Python Version
- 3.7+
- Dependencies
- NumPy, Pillow (C++ library; use conda for best results)
- Install
conda install -c conda-forge rdkit
Learn by Difficulty
Quick Example
python
# Install: conda install -c conda-forge rdkit import rdkit # Basic rdkit usage print(f"Using rdkit") # See documentation for detailed examples
rdkit is a third-party package. Cheminformatics: molecule manipulation, fingerprints, descriptors. Install with: conda install -c conda-forge rdkit
Try in PlaygroundTags
packagescientificengineeringresearch