Installation

LinChemIn requires python 3.8 or higher, as well as some common and reliable third party packages such as rdkit, pydot, networkx, pandas, numpy, etc…

Usage installation

LinChemIn can be installed directly from pypi

$ pip install linchemin

As an alternative, you can clone the LinChemIn repository from git and then use pip to install it:

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

Development installation

If you are planning to contribute to the code or if you want to implement some custom-defined functionality, we recommend the installation for development. This will require some additional packages. To install LinChemIn in development setting simply type:

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