Drug discovery
The battery design
OLED
catalyst
Density functional theory
Rupp et al.
Behler and Parrinello
QM9
Reference library
Google Brain team
DeepMind
University of Basel
First paper
Neural messaging in quantum chemistry
With atoms as nodes and bonds as edges
Li et al.
Duvenaud et al.
Kearnes et al.
Defferrard et al.
Google Brain members