Scalable Geometric Deep Learning on Molecular Graphs.

Nathan C. Frey Siddharth Samsi Joseph McDonald Lin Li Connor W. Coley Vijay Gadepally

Published in: CoRR (2021)

Keyphrases

deep learning
unsupervised learning
unsupervised feature learning
machine learning
three dimensional
mental models
restricted boltzmann machine
deep architectures
bayesian networks
weakly supervised
feature selection
multiscale
pattern recognition
directed graph
automatic extraction