pyCBH: soft release v0.0.0

Requirements

• python (version>=3.6)
• rdkit (version>=2020.03.4)
• numpy
• networkx
• pytest

Installation via conda

Clone the repository: git clone https://github.com/colliner/pyCBH.git

Run make conda_env to create the conda environment.

Testing the installation

Activate the conda environment: conda activate pyCBH

Run pytest or pytest -v