BU Match#

This featurizer is inspired by mismatch measures in MOF building tools such as pormake. The idea is to measure the Kabsch RMSD between the optimal node embedding and the actual coordinates of a building block.

Featurizers: BUMatch BUMatch ../../_images/arrow-right-circle.svg
considers_geometry: True
considers_structure_graph: True
encodes_chemistry: False
scalar: True
scope: bu