MS2Lipid is a lipid subclass prediction program using machine learning and curated tandem mass spectral data.
ms2lipid PyPI package is available for Python 3.9 to 3.12.
pip install ms2lipid
Make sure you have the latest version of PyPA’s build installed:
python -m pip install --upgrade build
# or
# python3 -m pip install --upgrade build
Now run this command from the same directory where pyproject.toml is located:
python -m build
# or
# python3 -m build