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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 --help" should list defaults #644

Closed bernstei closed 2 weeks ago

bernstei commented 1 month ago

It would be easier to know what mace_run_train is going to do if the --help flag reported the defaults for each option. Should be easy with something like

parser = argparse.ArgumentParser(
    # ... other options ...
    formatter_class=argparse.ArgumentDefaultsHelpFormatter)