Installation

Requirements

• Python 3.12 or higher

Install from PyPI

pip install moldecode

Install from Source

git clone https://github.com/skethirajan/moldecode.git
cd moldecode
pip install -e .

Install with Development Dependencies

pip install -e ".[dev]"

This will install all development dependencies including:

• Testing: pytest, pytest-cov
• Linting: ruff, docformatter, pre-commit
• Type checking: pyrefly
• Documentation: mkdocs-material, mkdocstrings