Rdkix: An Unofficial Renamed Fork of RDKit Library.
This is an unofficial fork of the RDKit pypi package, renamed to RDKix for enabling multiple rdkit versions to coexist in the same python environment. RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. The renamed package, RDKix, can easily be installed using:
pip install rdkit-mux
And imported using:
from rdkix import Chem
Available Builds
| OS | Arch | Bit | Conditions | 3.7 | 3.8 | 3.8 | 3.9 | 3.10 | 3.11 | 3.12 | 3.13 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Linux | intel | 64 | glibc >= 2.17 (e.g., Ubuntu 16.04+, CentOS 6+, ...) | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ |
| Linux | aarch64 | 64 | glibc >= 2.17 (e.g., Raspberry Pi, ...) | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ |
| macOS | intel | 64 | >= macOS 10.13 | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ |
| macOS | armv8 | 64 | >= macOS 11, M1 hardware | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | |
| Windows | intel | 64 | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ |
Documentation
- For offical
rdkitdocumentation, see: RDKit Documentation - For offical
rdkit-pypidocumentation, see: RDKit PYPI Github README - To convert rdkix mol to rdkit mol, use
to_rdkitmethod:
from rdkix import Chem
mol = Chem.MolFromSmiles('NCc1ccccc1CO')
print(type(mol.to_rdkit()))
# <class 'rdkit.Chem.rdchem.Mol'>
Metadata
Release files for rdkit-mux 2024.9.6
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Built distributions (wheels)
Total release size: 952.3 MB
Release files / rdkit_mux-2024.9.6-cp313-cp313-win_amd64.whl
| Download URL | rdkit_mux-2024.9.6-cp313-cp313-win_amd64.whl |
|---|---|
| Size | 22.5 MB |
| Tags | CPython 3.13 Windows x86-64 |
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Release files / rdkit_mux-2024.9.6-cp313-cp313-manylinux2014_x86_64.manylinux_2_17_x86_64.whl
| Download URL | rdkit_mux-2024.9.6-cp313-cp313-manylinux2014_x86_64.manylinux_2_17_x86_64.whl |
|---|---|
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| Uploaded via |
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Release files / rdkit_mux-2024.9.6-cp313-cp313-manylinux2014_aarch64.manylinux_2_17_aarch64.whl
| Download URL | rdkit_mux-2024.9.6-cp313-cp313-manylinux2014_aarch64.manylinux_2_17_aarch64.whl |
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Release files / rdkit_mux-2024.9.6-cp313-cp313-macosx_11_0_arm64.whl
| Download URL | rdkit_mux-2024.9.6-cp313-cp313-macosx_11_0_arm64.whl |
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Release files / rdkit_mux-2024.9.6-cp312-cp312-win_amd64.whl
| Download URL | rdkit_mux-2024.9.6-cp312-cp312-win_amd64.whl |
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Release files / rdkit_mux-2024.9.6-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.whl
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Release files / rdkit_mux-2024.9.6-cp312-cp312-manylinux2014_aarch64.manylinux_2_17_aarch64.whl
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Release files / rdkit_mux-2024.9.6-cp312-cp312-macosx_11_0_arm64.whl
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Release files / rdkit_mux-2024.9.6-cp312-cp312-macosx_10_15_x86_64.whl
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Release files / rdkit_mux-2024.9.6-cp311-cp311-win_amd64.whl
| Download URL | rdkit_mux-2024.9.6-cp311-cp311-win_amd64.whl |
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Release files / rdkit_mux-2024.9.6-cp311-cp311-manylinux2014_x86_64.manylinux_2_17_x86_64.whl
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Release files / rdkit_mux-2024.9.6-cp311-cp311-manylinux2014_aarch64.manylinux_2_17_aarch64.whl
| Download URL | rdkit_mux-2024.9.6-cp311-cp311-manylinux2014_aarch64.manylinux_2_17_aarch64.whl |
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Release files / rdkit_mux-2024.9.6-cp311-cp311-macosx_11_0_arm64.whl
| Download URL | rdkit_mux-2024.9.6-cp311-cp311-macosx_11_0_arm64.whl |
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Release files / rdkit_mux-2024.9.6-cp311-cp311-macosx_10_15_x86_64.whl
| Download URL | rdkit_mux-2024.9.6-cp311-cp311-macosx_10_15_x86_64.whl |
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Release files / rdkit_mux-2024.9.6-cp310-cp310-win_amd64.whl
| Download URL | rdkit_mux-2024.9.6-cp310-cp310-win_amd64.whl |
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Release files / rdkit_mux-2024.9.6-cp310-cp310-manylinux2014_x86_64.manylinux_2_17_x86_64.whl
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Release files / rdkit_mux-2024.9.6-cp310-cp310-manylinux2014_aarch64.manylinux_2_17_aarch64.whl
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Release files / rdkit_mux-2024.9.6-cp310-cp310-macosx_11_0_arm64.whl
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Release files / rdkit_mux-2024.9.6-cp39-cp39-win_amd64.whl
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Release files / rdkit_mux-2024.9.6-cp39-cp39-manylinux2014_x86_64.manylinux_2_17_x86_64.whl
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Release files / rdkit_mux-2024.9.6-cp39-cp39-macosx_10_15_x86_64.whl
| Download URL | rdkit_mux-2024.9.6-cp39-cp39-macosx_10_15_x86_64.whl |
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Release files / rdkit_mux-2024.9.6-cp38-cp38-manylinux2014_x86_64.manylinux_2_17_x86_64.whl
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Release files / rdkit_mux-2024.9.6-cp38-cp38-macosx_10_15_x86_64.whl
| Download URL | rdkit_mux-2024.9.6-cp38-cp38-macosx_10_15_x86_64.whl |
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Release files / rdkit_mux-2024.9.6-cp37-cp37m-win_amd64.whl
| Download URL | rdkit_mux-2024.9.6-cp37-cp37m-win_amd64.whl |
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Release files / rdkit_mux-2024.9.6-cp37-cp37m-manylinux2014_aarch64.manylinux_2_17_aarch64.whl
| Download URL | rdkit_mux-2024.9.6-cp37-cp37m-manylinux2014_aarch64.manylinux_2_17_aarch64.whl |
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Release files / rdkit_mux-2024.9.6-cp37-cp37m-macosx_10_15_x86_64.whl
| Download URL | rdkit_mux-2024.9.6-cp37-cp37m-macosx_10_15_x86_64.whl |
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