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OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features.
Zhuoran Qiao
Matthew Welborn
Animashree Anandkumar
Frederick R. Manby
Thomas F. Miller III
Published in:
CoRR (2020)
Keyphrases
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deep learning
unsupervised feature learning
unsupervised learning
learning algorithm
machine learning
decision making
feature extraction
feature vectors
semi supervised
natural language processing
feature set
model selection
mental models
restricted boltzmann machine