We measure the HOMO accuracy (HOMO Acc columns in Tables and) by M AE loss and the VAE accuracy (VAE Acc column in Table ) by finding the percentage of SMILES strings that represent the molecule after reconstruction that are the same as initial SMILES strings. Figure : Reconstructed molecules from QM9 val dataset correctly the "reconstructed" molecules according to their HOMO values. Given that the QM9 TEST dataset was never exposed to our model during the training, we argue that the implementation of our algorithm warrants both the validity of predicted molecules and the high accuracy of HOMO value prediction. In Fig. we give several molecules from the QM9 TEST dataset that were suggested by our algorithm and thus we know that their HOMO values were predicted perfectly.