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mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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Add finetuning for maceoff models
#319
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jharrymoore
closed
5 months 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
Allow finetuning of maceoff models
Notes