Constrained Graph Variational Autoencoders for Molecule Design.

Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt

Published in: CoRR (2018)

Keyphrases

design process
case study
building blocks
design decisions
neural network
search engine
user interface
denoising
random walk
bipartite graph
engineering design
graph theoretic