Description Usage Arguments Examples
Computes CMF kernel matrices for the combined set of molecules
1 | comp_kernels_all(all_fname = "ligands-all.mol2", kernels_all_fname = "ligands-kernels-all.RData", ...)
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all_fname |
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kernels_all_fname |
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... |
1 2 3 4 5 6 7 8 9 10 11 | ##---- 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,
...)
}
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