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

4 September 2019

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

4 / 4 papers shown

Title
Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning Jiace Sun Lixue Cheng Thomas F. Miller 27 2 0 31 May 2022
DeePKS: a comprehensive data-driven approach towards chemically accurate density functional theory Yixiao Chen Linfeng Zhang Han Wang E. Weinan 19 72 0 01 Aug 2020
OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features Zhuoran Qiao Matthew Welborn Anima Anandkumar F. Manby Thomas F. Miller AI4CE 24 214 0 15 Jul 2020
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 254 1,787 0 02 Mar 2017