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Provide finetuning option for phonons based on MACE-MP-0 #178

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JaGeo opened this issue Oct 23, 2024 · 1 comment · May be fixed by #182
Open

Provide finetuning option for phonons based on MACE-MP-0 #178

JaGeo opened this issue Oct 23, 2024 · 1 comment · May be fixed by #182
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JaGeo commented Oct 23, 2024

Add "--foundation_model=$path_model" to the fitting procotol of mace to also enable automatic fine-tuning with the phonon workflow.

I will play around with this in the next weeks. I think this should just be few changes in the current code.
@JaGeo JaGeo self-assigned this Oct 23, 2024
@JaGeo JaGeo changed the title Provide finetuning option for phonons Provide finetuning option for phonons based on MACE-MP-0 Oct 23, 2024
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JaGeo commented Oct 24, 2024

In the same context, we need to be able to set all possible settings in the MACE fitting script. This is currently not fulfilled.

This was referenced Oct 25, 2024
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Make the MACE fit more flexible and build a finetuning workflow autoatml/autoplex
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