[1aa732]: / original_code_from_paper / vae / settingsSMILES.yml

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data:
batch_size: 190
cuda_device: 0
smiles_file: VAE_dependencies\Datasets\QM9\0SelectedSMILES_QM9.txt
type_of_encoding: 0
decoder:
gru_neurons_num: 10
gru_stack_size: 5
latent_dimension: 300
encoder:
latent_dimension: 300
layer_1d: 100
layer_2d: 1000
layer_3d: 25
training:
KLD_alpha: 0.0032309168486524178
checkpoint: true
latent_dimension: 300
lr_dec: 6.98450538191299e-05
lr_enc: 6.98450538191299e-05
num_epochs: 5000
sample_num: 1000
tensorBoard_graphing: false