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Cheminformatics Software Python Packages

Python packages with the GitHub topic cheminformatics-software. Sorted by monthly downloads, with stars and forks.
mqcomplab
bblean

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

4K 132 16
schwallergroup
reactionclassifier

Fast, lightweight reaction classification with high granularity

234 32 1
    • Original data from PyPI, GitHub, and OSV; downloads served through ClickHouse
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