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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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add a check for average E0s in the argument parsing #478

Open RokasEl opened 1 week ago

RokasEl commented 1 week ago

Adds a check for using average E0s when finetuning. The checks can be ignored by passing --force to the CLI.