[6eeb30]: / original_code_from_paper / vae / settingsSELFIES.yml

Download this file

24 lines (23 with data), 497 Bytes

 1
 2
 3
 4
 5
 6
 7
 8
 9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
data:
batch_size: 190
cuda_device: 0
smiles_file: VAE_dependencies/Datasets/QM9/2RGSMILES_QM9.txt
type_of_encoding: 2
decoder:
gru_neurons_num: 100
gru_stack_size: 1
latent_dimension: 25
encoder:
latent_dimension: 25
layer_1d: 100
layer_2d: 50
layer_3d: 25
training:
KLD_alpha: 3.9914730047188435e-06
checkpoint: true
latent_dimension: 25
lr_dec: 0.002427375401692564
lr_enc: 0.002427375401692564
num_epochs: 5000
sample_num: 1000
tensorBoard_graphing: false