Add finetuning for maceoff models

ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

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Closed jharrymoore closed 1 week ago

jharrymoore commented 5 months ago

Allow finetuning of maceoff models

Notes

Slightly different way of initialising the models: using the parameter copying scheme from the mace-mp does not seem to work - since we want to keep the number of elements unchanged we simply intiialize from a checkpoint

ilyes319 commented 1 week ago

Supported in the main branch, thank you @jharrymoore