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Pin correctly openmm version
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juraskov committed Nov 24, 2024
1 parent 873c481 commit f111b96
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2 changes: 1 addition & 1 deletion environment_mace.yml
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Expand Up @@ -21,7 +21,7 @@ dependencies:
- scipy
- xtb
- scikit-learn
- openmmi=8.1.2
- openmm=8.1.2
- openmm-torch=1.4
- nnpops
- openmm-ml=1.2
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