molfeat - Featurize molecules for machine learning
molecular featurization cheminformatics machine learning molecular fingerprints
★ 1 · Updated 2026-09-28
Converts SMILES strings or RDKit molecules into fingerprints, descriptors, and pretrained embeddings for molecular machine learning.
⚙ Convert molecules to features ⚙ Compute molecular fingerprints ⚙ Generate molecular descriptors