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-f https://data.pyg.org/whl/torch-2.5.1%2Bcu121.html -f https://data.pyg.org/whl/torch-2.5.1%2Bcpu.html numpy==1.26.4 ase==3.24.0 torch==2.5.1 torch_geometric==2.5.3 torch_nl==0.3 torch_scatter torch_sparse tqdm>=4.66.1 |