# Core dependencies
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

# Optional dependencies (install separately if needed)
# rdkit>=2022.9.1  # Install via conda: conda install -c conda-forge rdkit
# or install via pip: pip install rdkit-pypi

# Additional dependencies (optional)
seaborn>=0.11.0
plotly>=5.0.0
ipython>=7.0.0
jupyter>=1.0.0
notebook>=6.4.0

# Development dependencies (optional)
# pytest>=6.0
# pytest-cov>=2.0
# black>=21.0
# flake8>=3.8
# mypy>=0.800 