/tools/bblean

bblean

mqcomplab/bblean

105 stars11 forksPythonWebsiteAdded February 4, 2026
summary

BitBIRCH-Lean is a memory-efficient implementation of the BitBIRCH clustering algorithm designed for high-throughput clustering of large molecular libraries. It allows users to generate molecular fingerprints from SMILES files and cluster them efficiently, making it a valuable tool for drug discovery and cheminformatics applications.

description

BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries

topics

cheminformaticscheminformatics-softwarechemistryclusteringcompchempythonscientific-computingclustering-algorithmdrug-discoverysimilaritysimilarity-measures

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