A collection of useful RDKit functions
Project description
useful_rdkit_utils
A motley collection of useful RDKit functions
Download
git clone git@github.com:PatWalters/useful_rdkit_utils.git
Installation
pip install useful_rdkit_utils
Installing the latest development version
pip install git+https://github.com/PatWalters/useful_rdkit_utils
Documentation
https://useful-rdkit-utils.rtfd.io
Demos
The notebooks directory contains Jupyter notebooks that show how to use some of the functions in this collection.
Contributing
I'm very open to PRs with corrections and/or contributions.
Copyright
Copyright (c) 2021-2025, Pat Walters
License
The code in this package is licensed under the MIT License.
Acknowledgements
Project based on the Computational Molecular Science Python Cookiecutter version 1.6.
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