Installation

Requirements

Python ≥3.12
tacular - Element and reference molecule lookups

Installing from PyPI

pip install paftacular
pip install paftacular[peptacular] # with peptacular integration
pip install paftacular[smiles]     # with SMILES support
pip install paftacular[all]        # with all optional dependencies

Optional Dependencies

pysmiles - For SMILES notation support
peptacular - For Mass/Composition calculations via included sequence

Installing from Source

git clone https://github.com/tacular-omics/paftacular.git
cd paftacular
pip install .

Development Installation

For development with all dev dependencies:

git clone https://github.com/tacular-omics/paftacular.git
cd paftacular
just install