rdkit
networkx
anytree
Levenshtein
typer
pandas
torch<3,>=2.4

[dev]
pytest>=8
pytest-cov>=5
pre-commit>=4
ruff>=0.5
mypy>=1.10

[docs]
sphinx>=7.3
furo>=2024.8.6
myst-parser>=3.0
sphinx-autodoc-typehints>=2.1

[gpu]
torch<3,>=2.4
torchvision<0.25,>=0.19
torchaudio<3,>=2.4
