M3GNetSimilarity

class emmet.core.similarity.M3GNetSimilarity(model='M3GNet-MP-2018.6.1-Eform')

Bases: SimilarityScorer

Obtain structural similarity using an M3GNet formation energy model.

Parameters

modelstr or Path

Model for computing feature vectors of a structure. Defaults to “M3GNet-MP-2018.6.1-Eform”

Parameters:

model (str | Path)