3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design.

Yinan Huang Xingang Peng Jianzhu Ma Muhan Zhang

Published in: CoRR (2022)

Keyphrases

computer aided
design decisions
machine learning
web services
image segmentation
three dimensional
evolutionary algorithm
design process
software architecture
design tools
design space