Install

This guide explains how to install psma for development or package usage.

Use Pixi for local development

For work inside the repository:

pixi install

Useful tasks include:

• pixi run lint

• pixi run test

• pixi run typecheck

• pixi run docs

Install the package with pip

The package metadata is defined in pyproject.toml.

Core installation:

pip install psma

Plotting extras:

pip install "psma[plotting]"

RDKit-backed workflows:

pip install "psma[rdkit]"

Documentation tooling:

pip install "psma[docs]"