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) .

MetabolSSMF

Simplex-structure matrix factorisation: application of soft clustering to metabolomics data

The package is built upon the 'Biobase' package from 'Bioconductor.' Before installing 'MetabolSSMF,' please ensure that 'Biobase' is installed by following the provided instructions.

Install the package

if (!require("BiocManager", quietly = TRUE)) install.packages("BiocManager")

BiocManager::install("Biobase")

devtools::install_github("WenxuanLiu1996/MetabolSSMF")

Load the package

library(MetabolSSMF)