tqdm>=4.60.0
psutil>=5.8.0
Send2Trash>=1.8.0
pyyaml>=6.0
numpy>=1.21.0
pandas>=1.3.0
rdkit>=2022.9.5
torch>=2.8
aimnet>=0.2
requests>=2.32.3
typer>=0.12.0
rich>=13.0.0
pydantic>=2.0

[all]
Auto3D[ani,ase,dev,docs]

[ani]
torchani>=2.8

[ase]
ase>=3.23.0

[dev]
pytest>=7.0
pytest-cov>=4.0
mypy>=1.0
ruff>=0.1.0
pre-commit>=3.0

[docs]
sphinx>=7.0
sphinx-rtd-theme>=1.3.0
nbsphinx>=0.9.0
myst-parser>=2.0
