comp_kernels_all: Computes CMF kernel matrices for the combined set of...

Description Usage Arguments Examples

Description

Computes CMF kernel matrices for the combined set of molecules

Usage

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comp_kernels_all(all_fname = "ligands-all.mol2", kernels_all_fname = "ligands-kernels-all.RData", ...)

Arguments

all_fname
kernels_all_fname
...

Examples

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##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.

## The function is currently defined as
function (all_fname = "ligands-all.mol2", kernels_all_fname = "ligands-kernels-all.RData", 
    ...) 
{
    comp_kernels_train(train_fname = all_fname, kernels_train_fname = kernels_all_fname, 
        ...)
  }

conmolfields documentation built on May 2, 2019, 4:18 p.m.