trainstation — Convenient training of linear models¶
trainstation is a tool that allows the efficient construction of linear models [FraEriErh20]. It provides supplementary functionality for handling data and model metrics and relies on the scikit-learn library for the actual training [PedVarGra11]. trainstation has been originally developed to aid the construction of force constant (via hiphive [EriFraErh19]) and cluster expansions (via icet [AngMunRah19]). Since it has proven to be valuable in more general contexts and to simplify the maintenance of the two aforementioned packages, the functionality has been moved into a separate package. Many examples for the application of trainstation can be found in the documentation of hiphive and icet.