ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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Add mutli-GPU training, data parrallelisation, pair repulsion, distance transform and other features #363

Closed ilyes319 closed 5 months ago

ilyes319 commented 6 months ago

Pull Request for MACE release 3.5

Description

This pull request implements a range of new features.

Type of change