Skip to content

v0.1.3

Latest
Compare
Choose a tag to compare
@chrbrunk chrbrunk released this 14 Aug 17:01

This version includes the following changes:

  • Adding two new options to the MACE implementation, a more complex species embedding
    and a gating mechanism for node features. Making use of these options may improve
    inference speed at similar accuracy.
  • Fixing a bug that caused overriding energy and forces predictions to be None when
    stress is computed by a model.