🔥 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.
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
Release files for rdkit 2026.9.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Built distributions (wheels)
Total release size: 678.9 MB
Release files / rdkit-2026.9.1-cp315-cp315-win_amd64.whl
| Download URL | rdkit-2026.9.1-cp315-cp315-win_amd64.whl |
|---|---|
| Size | 25.9 MB |
| Tags | CPython 3.15 Windows x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp315-cp315-manylinux_2_28_x86_64.whl
| Download URL | rdkit-2026.9.1-cp315-cp315-manylinux_2_28_x86_64.whl |
|---|---|
| Size | 31.8 MB |
| Tags | CPython 3.15 Linux glibc 2.28+ x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp315-cp315-manylinux_2_28_aarch64.whl
| Download URL | rdkit-2026.9.1-cp315-cp315-manylinux_2_28_aarch64.whl |
|---|---|
| Size | 30.2 MB |
| Tags | CPython 3.15 Linux glibc 2.28+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp315-cp315-macosx_11_0_arm64.whl
| Download URL | rdkit-2026.9.1-cp315-cp315-macosx_11_0_arm64.whl |
|---|---|
| Size | 25.6 MB |
| Tags | CPython 3.15 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp314-cp314-win_amd64.whl
| Download URL | rdkit-2026.9.1-cp314-cp314-win_amd64.whl |
|---|---|
| Size | 25.9 MB |
| Tags | CPython 3.14 Windows x86-64 |
|
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|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp314-cp314-manylinux_2_28_x86_64.whl
| Download URL | rdkit-2026.9.1-cp314-cp314-manylinux_2_28_x86_64.whl |
|---|---|
| Size | 31.8 MB |
| Tags | CPython 3.14 Linux glibc 2.28+ x86-64 |
|
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|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp314-cp314-manylinux_2_28_aarch64.whl
| Download URL | rdkit-2026.9.1-cp314-cp314-manylinux_2_28_aarch64.whl |
|---|---|
| Size | 30.2 MB |
| Tags | CPython 3.14 Linux glibc 2.28+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp314-cp314-macosx_11_0_arm64.whl
| Download URL | rdkit-2026.9.1-cp314-cp314-macosx_11_0_arm64.whl |
|---|---|
| Size | 25.6 MB |
| Tags | CPython 3.14 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp313-cp313-win_amd64.whl
| Download URL | rdkit-2026.9.1-cp313-cp313-win_amd64.whl |
|---|---|
| Size | 25.4 MB |
| Tags | CPython 3.13 Windows x86-64 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp313-cp313-manylinux_2_28_x86_64.whl
| Download URL | rdkit-2026.9.1-cp313-cp313-manylinux_2_28_x86_64.whl |
|---|---|
| Size | 31.8 MB |
| Tags | CPython 3.13 Linux glibc 2.28+ x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp313-cp313-manylinux_2_28_aarch64.whl
| Download URL | rdkit-2026.9.1-cp313-cp313-manylinux_2_28_aarch64.whl |
|---|---|
| Size | 30.2 MB |
| Tags | CPython 3.13 Linux glibc 2.28+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp313-cp313-macosx_11_0_arm64.whl
| Download URL | rdkit-2026.9.1-cp313-cp313-macosx_11_0_arm64.whl |
|---|---|
| Size | 25.6 MB |
| Tags | CPython 3.13 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp312-cp312-win_amd64.whl
| Download URL | rdkit-2026.9.1-cp312-cp312-win_amd64.whl |
|---|---|
| Size | 25.4 MB |
| Tags | CPython 3.12 Windows x86-64 |
|
SHA-256 checksum How to use checksums |
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|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp312-cp312-manylinux_2_28_x86_64.whl
| Download URL | rdkit-2026.9.1-cp312-cp312-manylinux_2_28_x86_64.whl |
|---|---|
| Size | 31.8 MB |
| Tags | CPython 3.12 Linux glibc 2.28+ x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp312-cp312-manylinux_2_28_aarch64.whl
| Download URL | rdkit-2026.9.1-cp312-cp312-manylinux_2_28_aarch64.whl |
|---|---|
| Size | 30.2 MB |
| Tags | CPython 3.12 Linux glibc 2.28+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp312-cp312-macosx_11_0_arm64.whl
| Download URL | rdkit-2026.9.1-cp312-cp312-macosx_11_0_arm64.whl |
|---|---|
| Size | 25.6 MB |
| Tags | CPython 3.12 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp311-cp311-win_amd64.whl
| Download URL | rdkit-2026.9.1-cp311-cp311-win_amd64.whl |
|---|---|
| Size | 25.4 MB |
| Tags | CPython 3.11 Windows x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp311-cp311-manylinux_2_28_x86_64.whl
| Download URL | rdkit-2026.9.1-cp311-cp311-manylinux_2_28_x86_64.whl |
|---|---|
| Size | 31.8 MB |
| Tags | CPython 3.11 Linux glibc 2.28+ x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp311-cp311-manylinux_2_28_aarch64.whl
| Download URL | rdkit-2026.9.1-cp311-cp311-manylinux_2_28_aarch64.whl |
|---|---|
| Size | 30.3 MB |
| Tags | CPython 3.11 Linux glibc 2.28+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp311-cp311-macosx_11_0_arm64.whl
| Download URL | rdkit-2026.9.1-cp311-cp311-macosx_11_0_arm64.whl |
|---|---|
| Size | 25.5 MB |
| Tags | CPython 3.11 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp310-cp310-win_amd64.whl
| Download URL | rdkit-2026.9.1-cp310-cp310-win_amd64.whl |
|---|---|
| Size | 25.4 MB |
| Tags | CPython 3.10 Windows x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp310-cp310-manylinux_2_28_x86_64.whl
| Download URL | rdkit-2026.9.1-cp310-cp310-manylinux_2_28_x86_64.whl |
|---|---|
| Size | 31.8 MB |
| Tags | CPython 3.10 Linux glibc 2.28+ x86-64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp310-cp310-manylinux_2_28_aarch64.whl
| Download URL | rdkit-2026.9.1-cp310-cp310-manylinux_2_28_aarch64.whl |
|---|---|
| Size | 30.3 MB |
| Tags | CPython 3.10 Linux glibc 2.28+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
Release files / rdkit-2026.9.1-cp310-cp310-macosx_11_0_arm64.whl
| Download URL | rdkit-2026.9.1-cp310-cp310-macosx_11_0_arm64.whl |
|---|---|
| Size | 25.5 MB |
| Tags | CPython 3.10 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.14
|
