gmxtopology>=0.1.1
matplotlib>=3.8
MDAnalysis>=2.7
numpy>=1.26
PyYAML>=6.0
scipy>=1.11
typer>=0.12

[dev]
build
pytest
ruff
twine

[docs]
mkdocs>=1.6
mkdocs-material>=9.5
pymdown-extensions

[notebook]
ipykernel
ipython
ipywidgets
jupyterlab
notebook
