Computes CMF kernel matrices for the combined set of molecules

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

Arguments

all_fname

kernels_all_fname

Details

Value

References

Note

See also

Examples

##---- 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, ...) }
#> 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, #> ...) #> } #> <environment: 0x10ebb7030>