msmbuilder.decomposition.tICA.score¶

tICA.
score
(sequences, y=None)¶ Score the model on new data using the generalized matrix Rayleigh quotient
Parameters: sequences : list of array, each of shape (n_samples_i, n_features)
Test data. A list of sequences in afeature space, each of which is a 2D array of possibily different lengths, but the same number of features.
Returns: gmrq : float
Generalized matrix Rayleigh quotient. This number indicates how well the top
n_timescales+1
eigenvectors of this tICA model perform as slowly decorrelating collective variables for the new data insequences
.References
[R23] McGibbon, R. T. and V. S. Pande, “Variational crossvalidation of slow dynamical modes in molecular kinetics” J. Chem. Phys. 142, 124105 (2015)