Table 2 represents results mentioned in for different datasets and methods of HOMO energies prediction, which were trained and tested on the indicated datasets. More complete description of the methods can be found in . The last four lines colored in gray correspond to our results. The lines Ridge Regr. and Elastic Net correspond to the training of the eponymous regression from latent space into the property of interest (HOMO). The last two lines correspond to the training of the unfrozen encoder (pretrained during the basic JT VAE training) jointly with two layers feed forward neural network with ReLu activations.