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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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typo? in multi-gpu branch run_train.py #331

Closed kenji-ishihara-os closed 4 months ago

kenji-ishihara-os commented 4 months ago

Dear developers

In multi-gpu branch run_train.py, is this right? https://github.com/ACEsuit/mace/blob/113b839160d696c2397ae5ad74a5dfffa550b7ab/scripts/run_train.py#L590

Perhaps, it may be below? if args.test_file.endswith(".xyz"):