Installation Guide

To install with Conda (recommended):

# Create conda environment
conda create -n rxnDB python=3.13 pip

# Activate conda environment
conda activate rxnDB

# Install rxnDB
pip install rxnDB

If you want to install the development version for local testing in “editable” mode:

# Clone repo
git clone https://github.com/buchanankerswell/kerswell_et_al_rxnDB.git
cd kerswell_et_al_rxnDB

# Checkout develop branch
git checkout develop

# Create conda environment and install rxnDB locally in editable mode
# including optional development and documentation dependencies
make environment