Installation

PyPI

LACAN can be installed directly from PyPI:

pip install lacan

From source

Clone the repository and install with pip:

git clone https://github.com/dehaenw/lacan.git
cd lacan
pip install .

This installs LACAN in your current Python environment along with its dependencies.

Requirements

  • Python ≥ 3.9

  • RDKit

Development install

To run the test suite or contribute to the code, install in editable mode with the development extras:

pip install -e ".[dev]"
pytest          # run the full test suite (~155 tests)