--- a +++ b/examples/vae_example/settings.yml @@ -0,0 +1,22 @@ +data: + batch_size: 100 + smiles_file: datasets/0SelectedSMILES_QM9.txt + type_of_encoding: 0 + +decoder: + latent_dimension: 50 + gru_neurons_num: 100 + gru_stack_size: 1 + +encoder: + layer_1d: 100 + layer_2d: 100 + layer_3d: 100 + latent_dimension: 50 + +training: + KLD_alpha: 1.0e-05 + lr_enc: 0.0001 + lr_dec: 0.0001 + num_epochs: 5000 + sample_num: 1000