useful_rdkit_utils

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A motley collection of useful RDKit functions

Robot Nikki

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.

Project links

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Latest release

1 maintainer

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Avatar for PatWalters from gravatar.com PatWalters

Credits

Author: Pat Walters

GitHub Statistics

Data verified by PyPI on Aug 21, 2026
The GitHub source repository was provided by the project maintainers and verified by PyPI at the time of upload. Stars, forks, and open issues/PRs are derived from that repository and have not been independently verified.

License

MIT License

Requires

Python >=3.11

Provides Extra

all docs extras jupyter tests

Classifiers

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