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Pypi of the renamed RDKit library, RDKix, for multiple RDKit versions in single environment.

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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 rdkix

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

from rdkix import Chem
mol = Chem.MolFromSmiles('NCc1ccccc1CO')
print(type(mol.to_rdkit()))
# <class 'rdkit.Chem.rdchem.Mol'>

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Pypi of the renamed RDKit library, RDKix, for multiple RDKit versions in single environment.

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