scripts/install-pyg.sh

# PyTorch Geometric (OCP)
TORCH=2.3.1
CUDA=cu121

pip install --verbose --no-cache torch-scatter -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html
pip install --verbose --no-cache torch-sparse -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html

# DGL (M3GNet, ALIGNN)
pip install dgl -U -f https://data.dgl.ai/wheels/torch-2.3/cu121/repo.html