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apax-hub / apax

A flexible and performant framework for training machine learning potentials.
MIT License
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implemented apax batch evaluation node #280

Closed M-R-Schaefer closed 4 months ago

M-R-Schaefer commented 4 months ago

batch evaluation node suitable for evaluating many differently sized structures. Batch size of 1 is sufficient.

M-R-Schaefer commented 4 months ago

I wrapped the import in a try except block and fixed the module path.