BitBirch: Efficient Clustering of Large Molecular Libraries

Miranda-Quintana Group
University of Florida

NOTE: For our cutting-edge, API-compatible, fast and memory-efficient implementation of the BitBIRCH algorithm for huge molecular libraries check out the BitBirch-Lean (bblean) repository.

Reference

DOI: 10.1039/D5DD00030K

Installation

git clone https://github.com/mqcomplab/bitbirch.git
cd bitbirch
pip install -e .