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# PyTorch Geometric (OCP)
TORCH=2.2.0
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)
pip install --verbose --no-cache dgl -f https://data.dgl.ai/wheels/{CUDA}/repo.html
# DGL (ALIGNN)
# pip install --verbose --no-cache dgl -f https://data.dgl.ai/wheels/torch-2.2/cu122/repo.html
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