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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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Fine tuning pre-trained model #384

Closed pdm9600 closed 2 months ago

pdm9600 commented 2 months ago

Hi all,

I'm trying to fine-tune the pre-trained model on mp data (as in https://github.com/ACEsuit/mace-mp). I downloaded mace (v0.3.4) via pip install mace-torch.

I've looked at other related posts, and found that the pre-trained models are loaded with the "--foundation_model" option. However, I don't see this available when I run 'mace_run_train' or 'run_train.py'

Also, training from scratch works fine.

Here's my output when I try to include the pre-trained models (similar output for mace_run_train as well):

run_train.py: error: unrecognized arguments: --foundation_model=2024-01-07-mace-128-L2.model

ilyes319 commented 2 months ago

Hello,

This functionality is only available in the develop branch for now. You need to install it in order to use it.