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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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validation loss printed during training is not actually for the specific head #449

Closed bernstei closed 3 weeks ago

bernstei commented 3 weeks ago

When printing validation loss during training, pass loss for head, not partial sum over heads calculated so far

closes #444

ilyes319 commented 3 weeks ago

ok that was indeed a bug, thx.