Overview

Shiny apps

R Packages

Chemistry

Data analysis

Wrappers for command-line tools

  • obabel2R: Functions for calling openbabel executable inside R.
  • jchemR: Wrapper functions for the commandline version of jchem (cxcalc).

Matlab functions

  • MetaboMAT: A collection of matlab functions useful for dealing with LC-MS metabolomics data.

Forks (contributions)

Obsolete

  • rmongodb.quick: Convenience functions and workaround for bugs in rmongodb.
    2014-07-30: The functions were added to rmongodb by Dr. rer. nat. Markus Schmidberger.
  • heatmap.3: Replacement function for the R function heatmap.2. This function calculates distance after scaling in contrast to heatmap.2.
    2014-09-14: Use heat.clust in massageR instead together with normal heatmap.2.