scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science - Goscinski, Alexander; Principe, Victor Paul; Fraux, Guillaume; Kliavinek, Sergei; Helfrecht, Benjamin Aaron; Loche, Philip; Ceriotti, Michele; Cersonsky, Rose Kathleen (Open research Europe, 2023)
Keywords: eng; feature reconstruction; feature selection; KPCovR; PCovR; Python; sample selection; Software Tool; directional convex hull; sample selection; feature reconstruction; feature selection; KPCovR; PCovR; Python