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Regression-clustering for Improved Accuracy and Training Cost with
  Molecular-Orbital-Based Machine Learning

Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning

4 September 2019
Lixue Cheng
Nikola B. Kovachki
Matthew Welborn
Thomas F. Miller
ArXivPDFHTML

Papers citing "Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning"

2 / 2 papers shown
Title
OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted
  Atomic-Orbital Features
OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features
Zhuoran Qiao
Matthew Welborn
Anima Anandkumar
F. Manby
Thomas F. Miller
AI4CE
16
214
0
15 Jul 2020
MoleculeNet: A Benchmark for Molecular Machine Learning
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
166
1,775
0
02 Mar 2017
1