A collection of useful RDKit functions
git clone [email protected]:PatWalters/useful_rdkit_utils.gitpip install useful_rdkit_utilspip install git+https://github.com/PatWalters/useful_rdkit_utilshttps://useful-rdkit-utils.rtfd.io
The notebooks directory contains Jupyter notebooks that show how to use some of the functions in this collection.
I'm very open to PRs with corrections and/or contributions.
Copyright (c) 2021, Pat Walters
The code in this package is licensed under the MIT License.
Project based on the Computational Molecular Science Python Cookiecutter version 1.6.