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Update environment-cpu.yml
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williamyxl authored Sep 6, 2023
1 parent 4fcdd15 commit b8e10b1
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2 changes: 1 addition & 1 deletion envs/environment-cpu.yml
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Expand Up @@ -18,7 +18,7 @@ dependencies:
# Tools to work with crystalline and molecular data
- openbabel==3.1.*
- rdkit==2023.03.2
- pymatgen
- pymatgen==2023.8.10

# Use Conda PyTorch to avoid OpenMP disagreement with other libraries
- pytorch==1.13.*
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