gjgetzinger/cfmR: R Wrapper for calling the Competitive Fragmentation Modeling for Metabolite Identifiction (CFM-ID) algorithm

R functions for passing arguments to the CFM-ID command line tool and for collecting results from output file or standard out. Also, provides functions for submitting batches of molecules for prediction using a Linux cluster with a SLURM scheduler. This package was not written by the CMF-ID authors. For instructions on installation of command line executables and a description of the alrogithm , see https://cfmid.wishartlab.com and https://sourceforge.net/projects/cfm-id.

install.packages("remotes")
remotes::install_github("gjgetzinger/cfmR")