RDKit for Python (PyPI)

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library 2026.03.01 ·python
verified May 26, 2026

RDKit is a collection of chemoinformatics and machine-learning software written in C++ and Python. The `rdkit-pypi` package provides pre-built wheels for the RDKit library, enabling easy installation via pip on various platforms and Python versions. This addresses common build issues encountered with the upstream RDKit PyPI package, which often only provides source distributions. It follows a rapid release cadence, syncing with RDKit's development.

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