/tools/bitbirch

bitbirch

mqcomplab/bitbirch

116 stars30 forksPythonWebsiteAdded February 4, 2026
summary

BitBIRCH is an efficient clustering algorithm tailored for handling large molecular libraries, facilitating drug discovery and cheminformatics tasks. It allows researchers to perform similarity searches and analyze chemical space effectively.

description

BitBIRCH clustering algorithm

topics

algorithmsclusteringdrug-designdrug-discoverydrug-repurposingmachine-learningsimilaritychemical-spacecheminformaticssamplingsimilarity-search

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