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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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mace_run_train: unrecognized arguments: `--foundation_model` on pip installer version #396

Closed stenczelt closed 1 month ago

stenczelt commented 2 months ago

Describe the bug When installed from pip (as per readme) and trying to run fine-tuning of the foundation models, the associated argument of the mace_run_train is unrecognised.

To Reproduce Steps to reproduce the behavior:

  1. install from pip: https://github.com/acesuit/mace?tab=readme-ov-file#pip-installation
  2. try fine-tuning foundation models: https://github.com/acesuit/mace?tab=readme-ov-file#finetuning-foundation-models

Expected behavior I guess this just needs a release, I am currently on mace-torch==0.3.4 which seems to be the latest from pypi, but released there in Jan 2024.

ilyes319 commented 2 months ago

Yes fixing all bugs before releasing