Skip to main content

Table 1 Junction tree encoder

From: Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization

Name

Input

Output

Info

One Hot Encoder

2327

612

MPNN

612

612

1 Iteration

FFNN

612

612

To extract features

FFNN

612

128

To extract mean

FFNN

612

128

To extract variance