torch>=1.9.0
dgl>=0.1.0
numpy>=1.21.0
pandas>=1.3.0
matplotlib>=3.5.0
scikit-learn>=1.0.0
scipy>=1.7.0
networkx>=2.6.0
tqdm>=4.62.0
tensorboard>=2.7.0
torchmetrics>=0.7.0

[dev]
pytest>=6.0
pytest-cov>=2.0
black>=21.0
flake8>=3.8
mypy>=0.800

[docs]
sphinx>=4.0
sphinx-rtd-theme>=1.0
myst-parser>=0.15

[full]
seaborn>=0.11.0
plotly>=5.0.0
ipython>=7.0.0
jupyter>=1.0.0
notebook>=6.4.0
rdkit-pypi>=2022.9.1

[rdkit]
rdkit-pypi>=2022.9.1
