CrystalNNSimilarity

class emmet.core.similarity.CrystalNNSimilarity(fingerprinter=None)

Bases: SimilarityScorer

Rank the similarity between structures using CrystalNN.

Reference: 10.1039/C9RA07755C

Parameters

fingerprinter: BaseFeaturizer or None (default)

A structural featurizer. If None, defaults to the featurizer used in the above reference.

Parameters:

fingerprinter (BaseFeaturizer | None)