🔥 RDKit Python Wheels

This repository holds the code to build RDKit platform wheels for Linux, macOS, and Windows on Github Action and Circle CI. The wheels contain the compiled platform-specific dynamic libraries (*.so, *.dylib, and *.dll) and are available at PyPI. RDKit can easily be installed using

pip install rdkit

Please open an issue if you find something missing or not working as expected.

PyPI version shields.io PyPI download day PyPI download month PyPI download day GitHub Repo stars

Available Builds

OS Arch Bit Conditions 3.8 3.9 3.10 3.11 3.12 3.13 3.14 3.15 CI
Linux intel 64 glibc >= 2.28 (e.g., Ubuntu 18.04+, CentOS 6+, ...) last: 2024.3.5 last: 2025.9.2 ✔️ ✔️ ✔️ ✔️ ✔️ ✔️ Github Actions
Linux aarch64 64 glibc >= 2.28 (e.g., Raspberry Pi, ...) last: 2024.3.5 last: 2025.9.2 ✔️ ✔️ ✔️ ✔️ ✔️ ✔️ Circle CI
macOS armv8 64 >= macOS 11, M-Hardware last: 2024.3.5 last: 2025.9.2 ✔️ ✔️ ✔️ ✔️ ✔️ ✔️ Github Actions
Windows intel 64 last: 2024.3.5 last: 2025.9.2 ✔️ ✔️ ✔️ ✔️ ✔️ ✔️ Github Actions

macOS Intel (x86_64) wheels are no longer built. The last available versions were 2024.3.5 (Python 3.8), 2025.9.2 (Python 3.9), and 2025.9.3 (Python 3.10-3.13).

Installation

PIP

python -m pip install rdkit
python -c "from rdkit import Chem; print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))"

uv

uv add rdkit
uv run python -c "from rdkit import Chem; print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))"

Local builds on Linux

cibuildwheel requires patchelf (apt install patchelf)

python3 -m pip install cibuildwheel

git clone https://github.com/kuelumbus/rdkit-pypi.git
cd rdkit-pypi

CIBW_BUILD=cp313-manylinux_x86_64 python3 -m cibuildwheel --platform linux --output-dir wheelhouse --config-file pyproject.toml

Replace * in cp*-manylinux_x86_64 with 310, 311, 312, 313, 314, or 315 to build for different Python

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Latest release

2 maintainers

PyPI data
Data sourced directly from PyPI's database.
Avatar for glandrum from gravatar.com glandrum Avatar for kuelumbus from gravatar.com kuelumbus

Credits

Author: Christopher Kuenneth

License

BSD-3-Clause

Report project as malware

Download files

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Source Distributions

No source distribution files available for this release.See tutorial on generating distribution archives.

Built Distributions

If you're not sure about the file name format, learn more about wheel file names.

rdkit-2026.3.6-cp315-cp315-manylinux_2_28_aarch64.whl (36.6 MB view details)

Uploaded CPython 3.15manylinux: glibc 2.28+ ARM64

rdkit-2026.3.6-cp315-cp315-macosx_11_0_arm64.whl (30.3 MB view details)

Uploaded CPython 3.15macOS 11.0+ ARM64

rdkit-2026.3.6-cp314-cp314-win_amd64.whl (25.5 MB view details)

Uploaded CPython 3.14Windows x86-64

rdkit-2026.3.6-cp314-cp314-manylinux_2_28_x86_64.whl (38.1 MB view details)

Uploaded CPython 3.14manylinux: glibc 2.28+ x86-64

rdkit-2026.3.6-cp314-cp314-manylinux_2_28_aarch64.whl (36.6 MB view details)

Uploaded CPython 3.14manylinux: glibc 2.28+ ARM64

rdkit-2026.3.6-cp314-cp314-macosx_11_0_arm64.whl (30.3 MB view details)

Uploaded CPython 3.14macOS 11.0+ ARM64

rdkit-2026.3.6-cp313-cp313-win_amd64.whl (25.0 MB view details)

Uploaded CPython 3.13Windows x86-64

rdkit-2026.3.6-cp313-cp313-manylinux_2_28_x86_64.whl (38.1 MB view details)

Uploaded CPython 3.13manylinux: glibc 2.28+ x86-64

rdkit-2026.3.6-cp313-cp313-manylinux_2_28_aarch64.whl (36.6 MB view details)

Uploaded CPython 3.13manylinux: glibc 2.28+ ARM64

rdkit-2026.3.6-cp313-cp313-macosx_11_0_arm64.whl (30.3 MB view details)

Uploaded CPython 3.13macOS 11.0+ ARM64

rdkit-2026.3.6-cp312-cp312-win_amd64.whl (25.0 MB view details)

Uploaded CPython 3.12Windows x86-64

rdkit-2026.3.6-cp312-cp312-manylinux_2_28_x86_64.whl (38.1 MB view details)

Uploaded CPython 3.12manylinux: glibc 2.28+ x86-64

rdkit-2026.3.6-cp312-cp312-manylinux_2_28_aarch64.whl (36.6 MB view details)

Uploaded CPython 3.12manylinux: glibc 2.28+ ARM64

rdkit-2026.3.6-cp312-cp312-macosx_11_0_arm64.whl (30.3 MB view details)

Uploaded CPython 3.12macOS 11.0+ ARM64

rdkit-2026.3.6-cp311-cp311-win_amd64.whl (24.9 MB view details)

Uploaded CPython 3.11Windows x86-64

rdkit-2026.3.6-cp311-cp311-manylinux_2_28_x86_64.whl (38.2 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.28+ x86-64

rdkit-2026.3.6-cp311-cp311-manylinux_2_28_aarch64.whl (36.7 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.28+ ARM64

rdkit-2026.3.6-cp311-cp311-macosx_11_0_arm64.whl (30.2 MB view details)

Uploaded CPython 3.11macOS 11.0+ ARM64

rdkit-2026.3.6-cp310-cp310-win_amd64.whl (24.9 MB view details)

Uploaded CPython 3.10Windows x86-64

rdkit-2026.3.6-cp310-cp310-manylinux_2_28_x86_64.whl (38.2 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.28+ x86-64

rdkit-2026.3.6-cp310-cp310-manylinux_2_28_aarch64.whl (36.7 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.28+ ARM64

rdkit-2026.3.6-cp310-cp310-macosx_11_0_arm64.whl (30.2 MB view details)

Uploaded CPython 3.10macOS 11.0+ ARM64

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2026.3.6 This release

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