molfeat - Molecular featurization for machine learning
molecular featurization cheminformatics machine learning QSAR
★ 1 · Updated 2026-09-29
Converts SMILES strings or RDKit molecules into numerical features for QSAR, screening, similarity search, and molecular machine learning.
⚙ Convert molecular structures to features ⚙ Compute molecular fingerprints ⚙ Calculate molecular descriptors