chemical-data
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Unofficial Python tools for querying NIST Chemistry WebBook pages and extracting molecular-property records.
Unofficial Python client for ILThermo 2.0 with SMILES-enriched ionic-liquid data for cheminformatics, thermodynamics, and ML workflows.
