MetabolSSMF - Simplex-Structured Matrix Factorisation for Metabolomics Analysis

Provides a framework to perform soft clustering using simplex-structured matrix factorisation (SSMF). The package contains a set of functions for determining the optimal number of prototypes, the optimal algorithmic parameters, the estimation confidence intervals and the diversity of clusters. Abdolali, Maryam & Gillis, Nicolas (2020) <doi:10.1137/20M1354982>.