PREDICT_utils

pearson_map_predict(self, Xy_data, params_dir)

Plots the Pearson map and analyzes correlation of descriptors.

plot_predictions(self, params_dict, Xy_data, path_n_suffix)

Plot graphs of predicted vs actual values for train, validation and test sets

print_predict(self, Xy_data, model_data, suffix_title)

Prints results of the predictions for all the sets

save_predictions(self, Xy_data, model_data, suffix_title)

Saves CSV files with the different sets and their predicted results

test_csv(self, Xy_test_df, descs_model, params_df)

Separates the test databases into X and y. This allows to merge test external databases that contain different columns with internal test databases coming from GENERATE