linchemin 1.0.1

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

LinChemIn (Linked Chemical Information)

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

Authors and Maintainers

Marta Pasquini
Marco Stenta

Resources

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