useful_rdkit_utils

A collection of useful RDKit functions

git clone git@github.com:PatWalters/useful_rdkit_utils.git

pip install useful_rdkit_utils

pip install git+https://github.com/PatWalters/useful_rdkit_utils

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.

The code in this package is licensed under the MIT License.

Name		Name	Last commit message	Last commit date
Latest commit History 59 Commits
.github		.github
data		data
docs		docs
notebooks		notebooks
useful_rdkit_utils		useful_rdkit_utils
.gitignore		.gitignore
.lgtm.yml		.lgtm.yml
.readthedocs.yaml		.readthedocs.yaml
CHANGELOG.md		CHANGELOG.md
CODE_OF_CONDUCT.md		CODE_OF_CONDUCT.md
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README.md		README.md
requirements.txt		requirements.txt
setup.cfg		setup.cfg
setup.py		setup.py
versioneer.py		versioneer.py

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