molfeat - Convert molecular structures into ML features
molecular featurization cheminformatics molecular machine learning QSAR
★ 242 · Updated 2026-10-01
Converts SMILES strings or RDKit molecules into fingerprints, descriptors, and pretrained embeddings for molecular machine learning.
⚙ Generate molecular fingerprints ⚙ Calculate molecular descriptors ⚙ Extract pretrained embeddings