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A library for manipulating molecular descriptors

avcopan.github.io/autochem/

MIT license

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Name		Name	Last commit message	Last commit date
Latest commit History 616 Commits
.circleci		.circleci
automol		automol
docs		docs
phydat		phydat
tmp		tmp
transformations		transformations
.gitignore		.gitignore
.pylintrc		.pylintrc
LICENSE		LICENSE
README.md		README.md
build.sh		build.sh
conda_build_config.yaml		conda_build_config.yaml
debug-install.sh		debug-install.sh
environment.yml		environment.yml
meta.yaml		meta.yaml
setup.py		setup.py

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automol

Includes Python package "transformations" developed externally by Christoph Gohlke A README is provided with this package. Further copyright information is provided in _transformations.py