rdkit-mux 2024.9.6

An unofficial renamed fork of RDKit library for multiple RDKit versions in single environment.

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 rdkit documentation, see: RDKit Documentation
• For offical rdkit-pypi documentation, see: RDKit PYPI Github README
• To convert rdkix mol to rdkit mol, use to_rdkit method:

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