message: set labels for lrp
diff: @@ -184,6 +184,7 @@ void CNNScorer::lrp(const model& m, const string& layer_to_ignore)
  mgrid->setReceptor<atom>(m.get_fixed_atoms());
  mgrid->setLigand<atom,vec>(m.get_movable_atoms(),m.coordinates());
  + mgrid->setLabels(1);
  net->Forward();
  if(layer_to_ignore == "")
  