8 code implementations • NeurIPS 2015 • David Duvenaud, Dougal Maclaurin, Jorge Aguilera-Iparraguirre, Rafael Gómez-Bombarelli, Timothy Hirzel, Alán Aspuru-Guzik, Ryan P. Adams
We introduce a convolutional neural network that operates directly on graphs.
Ranked #2 on Drug Discovery on HIV dataset