Installation

Rxn-INSIGHT can be installed from PyPI via pip or directly from the GitHub repository.

Option 1: Installing from PyPI using pip

conda create -n rxn-insight python=3.11
conda activate rxn-insight
pip install rxn-insight

Note

Currently only python 3.10 and python 3.11 are supported.

Option 2: Installing from source using pip

conda create -n rxn-insight python=3.11
conda activate rxn-insight
git clone https://github.com/mrodobbe/Rxn-INSIGHT.git
cd Rxn-INSIGHT
pip install -e .

Note

You can also use this option to install additional optional dependencies for development purposes, which are required to run the tests and build the docs by running pip install -e ".[test,doc]".