MolFeat 5.4

MolFeat by FiatLux Corporation is a modern toolkit for molecular feature engineering and representation, designed to help researchers turn raw chemical structures into actionable insights. It streamlines QSAR, property prediction, and ligand- or structure-based design by generating high-quality descriptors and fingerprints with fast 2D and 3D featurization. MolFeat supports standard chemistry formats such as SMILES and SDF and works seamlessly with popular data science and machine learning workflows, enabling efficient model building and evaluation. With customizable pipelines, robust logging, and versionable configurations, it promotes reproducibility from early prototyping to large-scale studies. Whether you’re working in drug discovery, materials science, or academic research, MolFeat accelerates experimentation, improves model performance, and simplifies collaboration—so teams can focus on making better decisions, faster.

MolFeat is developed by FiatLux Corporation. The most popular versions of this product among our users are: 4.6, 5.0, 5.1, 5.2 and 5.4. The name of the program executable file is mvUI.exe.