Skip to main content

Table 4 Junction tree decoder

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

Name

Input

Output

Info

MPNN

256

612

–

FFNNN

612

1

For geometry prediction

FFNNN

612

2327

For structure prediction

MPNN

612

612

3 Iterations for molecule representation

Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us