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theochem / packages / qc-procrustes 1.0.0

Finding the optimal transformation(s) that makes two matrices as close as possible to each other.

Installers

  • noarch v1.0.0

conda install

To install this package run one of the following:
conda install theochem::qc-procrustes
conda install theochem/label/dev::qc-procrustes

Description

This package supports general, generic, orthogonal, rotation, permutation, and symmetric Procrustes problems, including both the normal one-sided approach and (for orthogonal and permutation Procrustes) two-sided approaches, where both the rows and columns are transformed. Softassign algorithm is also implemented to solve two-sided permutation Procrustes.


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