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gembox

In-house toolbox for genome-scale metabolic modeling (GEM) for the Ruppin lab. This is an R package that implements GEM functionalities.

Provided as is without warranty of any kind.

Current Functions

  • Query of metabolic model/network data, and basic manipulations of metabolic models
  • FBA, FVA, FCA
  • Simulating reaction knockouts; MOMA
  • Sampling: ACHR
  • Metabolic-EP
  • Incorporating gene expression data: iMAT, PRIME, GIMME, E-Fmin, the method of Lee and Smallbone, and their variations
  • MTA, rMTA and their variations
  • Differential flux analysis and metabolic pathway enrichment analysis
  • Visualization of metabolic network and differential flux results

Dependencies

  • ILOG CPLEX Optimization Studio or Gurobi (free academic licenses available)
  • R packages
    • Depends: Matrix, data.table
    • Imports: stringr, parallel, pbmcapply
    • LinkingTo: Rcpp, RcppArmadillo
    • Suggests: Rcplex2 (ruppinlab/Rcplex2), gurobi, R.matlab, sybilSBML, rlist, fgsea, igraph, ggplot2, RColorBrewer, visNetwork, hypergraph, hyperdraw
    • At least one of Rcplex2 (ruppinlab/Rcplex2) and gurobi is required for running optimizations

This package for now only works on Linux and MacOS.