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[mcp]'      # with the local MCP server and peptide support
pip install paftacular[all]        # with all optional dependencies

MCP support requires paftacular 1.3.0 or newer. See AI clients through MCP for client configuration. The all extra includes MCP and its dependencies.

Optional Dependencies

  • pysmiles - For SMILES notation support

  • peptacular - For Mass/Composition calculations via included sequence

  • mcp extra - Official MCP SDK and peptacular for local AI client connections

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