linchemin 1.0.0

Toolkit to create, manipulate, and query networks of Chemical Reactions and Chemicals

LinChemIn

The Linked Chemical Information (LinChemIn) package is a python toolkit that allows chemoinformatics operations on synthetic routes and reaction networks.

resource type	link
project page	https://linchemin.github.io
repository	https://github.com/syngenta/linchemin
documentation	http://linchemin.readthedocs.io
pypi page	https://pypi.org/project/linchemin

##Install for usage ###1) pypi

pip install linchemin

###2) clone & pip

git clone https://github.com/syngenta/linchemin
cd linchemin
pip install .

###3) pip from git

pip install git+https://github.com/syngenta/linchemin

##Install for development

git clone https://github.com/syngenta/linchemin
cd linchemin
pip install -e .[development]

Testing is based on pytest