/tools/bblean
bblean
mqcomplab/bblean
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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