Simplex-Structured Matrix Factorisation for Metabolomics Analysis R package MetabolSSMF version 0.1.0 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>. Software Depends: R (>= 3.5.0) Imports: LaplacesDemon, NMF, doParallel, foreach, iterators, lsei, mclust, tidyr Suggests: knitr, rmarkdown, caroline, ggsci, BiocManager, Biobase Wenxuan Liu <wenxuan.liu@ucdconnect.ie> Comprehensive R Archive Network (CRAN) Wenxuan Liu [aut, cre], Thomas Brendan Murphy [aut], Lorraine Brennan [aut] MIT + file LICENSE (https://CRAN.R-project.org/package=MetabolSSMF/LICENSE) 2025-03-05 application/tgz https://CRAN.R-project.org/package=MetabolSSMF doi:10.32614/CRAN.package.MetabolSSMF