rdkit 2025.9.6


pip install rdkit

  Latest version

Released: Mar 02, 2026
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Author: Christopher Kuenneth
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🔥 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 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 intel 64 >= macOS 10.15 last: 2024.3.5 last: 2025.9.2 last: 2025.9.3 last: 2025.9.3 last: 2025.9.3 last: 2025.9.3 last: 2025.9.3 Github Actions
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

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, or 314 to build for different Python

2025.9.6 Mar 02, 2026
2025.9.5 Feb 16, 2026
2025.9.4 Jan 31, 2026
2025.9.3 Dec 03, 2025
2025.9.2 Dec 01, 2025
2025.9.1 Oct 06, 2025
2025.3.6 Sep 05, 2025
2025.3.5 Aug 01, 2025
2025.3.4 Jul 31, 2025
2025.3.3 Jun 12, 2025
2025.3.2 May 13, 2025
2025.3.1 May 09, 2025
2024.9.6 Mar 12, 2025
2024.9.5 Feb 05, 2025
2024.9.4 Jan 07, 2025
2024.9.3 Jan 05, 2025
2024.9.2 Jan 05, 2025
2024.9.1 Dec 29, 2024
2024.3.6 Nov 07, 2024
2024.3.5 Aug 07, 2024
2024.3.4 Aug 06, 2024
2024.3.3 Jul 05, 2024
2024.3.2 Jul 05, 2024
2024.3.1 Jun 24, 2024
2023.9.6 Apr 27, 2024
2023.9.5 Feb 14, 2024
2023.9.4 Jan 06, 2024
2023.9.3 Dec 22, 2023
2023.9.2 Nov 25, 2023
2023.9.1 Oct 25, 2023
2023.3.3 Aug 18, 2023
2023.3.2 Jun 25, 2023
2023.3.1 May 03, 2023
2022.9.5 Feb 26, 2023
2022.9.4 Jan 24, 2023
2022.9.3 Dec 11, 2022
2022.9.2 Nov 25, 2022
2022.9.1 Oct 24, 2022
2022.3.5 Aug 09, 2022
2022.3.4 Jul 06, 2022
2022.3.3 Jun 17, 2022

Wheel compatibility matrix

Platform CPython 3.10 CPython 3.11 CPython 3.12 CPython 3.13 CPython 3.14
macosx_11_0_arm64
manylinux_2_28_aarch64
manylinux_2_28_x86_64
win_amd64

Files in release

Extras: None
Dependencies:
numpy
Pillow