Chemfp is an analytics platform for cheminformatics fingerprints. It contains command-line tools and an extensive Python library for fingerprint generation, high-performance similarity search, diversity selection, and exploratory research.
Its market-leading performance and comprehensive API make it easy for you to add fast similarity search anywhere you use Python.
NEW! Chemfp 4.1 was released on 17 May 2023. See the documentation for the full list of notable changes or go to the download page .