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| numpy<2 | |
| torch==1.13.1 | |
| torch_geometric==2.5.2 | |
| torch-scatter==2.1.1 | |
| -f https://data.pyg.org/whl/torch-1.13.1+cpu.html | |
| streamlit==1.40.1 | |
| ase==3.23.0 | |
| PyCifRW==4.4.6 | |