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Inchikey Python Packages

Python packages with the GitHub topic inchikey. Sorted by relevance, with stars and monthly downloads.
bafgreat
mofstructure

A comprehensive Python toolkit for deconstructing metal-organic frameworks (MOFs) into building units, analysing porosity, removing unbound guest molecules, determining framework topology with RCSR net identification and generating cheminformatics descriptors for structural components.

731 24 0
USEtox
provesid

Access online services of chemical identifiers from Python

185 3 1
    • Data from PyPI, GitHub, ClickHouse, and BigQuery