stats#

Functions

bootstrap_statistic

Compute mean and confidence intervals of specified statistic.

calculate_kendalls_tau

Compute Kendall's tau between true and predicted values.

calculate_mue

Compute mean unsigned error between true and predicted values.

calculate_nrmse

Compute the normalized root mean squared error between true and predicted values, using the true mean to normalize the RMSE.

calculate_pearson_r

Compute Pearson's r between true and predicted values.

calculate_predictive_index

Compute the predictive index as introduced by Pearlman et al. between true and predicted values.

calculate_r2

Compute R^2 between true and predicted values.

calculate_rae

Compute relative absolute error between true and predicted values.

calculate_rmse

Compute root mean squared error between true and predicted values.

form_edge_matrix

Extract the labeled property from edges into a matrix.

mle

Compute maximum likelihood estimate of free energies and covariance in their estimates.