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On the equivalence of molecular graph convolution and molecular wave
  function with poor basis set

On the equivalence of molecular graph convolution and molecular wave function with poor basis set

Neural Information Processing Systems (NeurIPS), 2020
16 November 2020
Masashi Tsubaki
T. Mizoguchi
ArXiv (abs)PDFHTMLGithub (219★)

Papers citing "On the equivalence of molecular graph convolution and molecular wave function with poor basis set"

6 / 6 papers shown
Title
On the Problem of Consistent Anomalies in Zero-Shot Industrial Anomaly Detection
On the Problem of Consistent Anomalies in Zero-Shot Industrial Anomaly Detection
Tai Le-Gia
Ahn Jaehyun
36
0
0
12 Oct 2025
Equivariant Neural Operator Learning with Graphon Convolution
Equivariant Neural Operator Learning with Graphon Convolution
Chaoran Cheng
Jian-wei Peng
95
6
0
17 Nov 2023
Formulation Graphs for Mapping Structure-Composition of Battery
  Electrolytes to Device Performance
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device PerformanceJournal of Chemical Information and Modeling (JCIM), 2023
Vidushi Sharma
Maxwell J. Giammona
Dmitry Zubarev
Andy Tek
Khanh Nugyuen
Linda Sundberg
D. Congiu
Young-Hye La
102
15
0
07 Jul 2023
Graph Neural Network with Local Frame for Molecular Potential Energy
  Surface
Graph Neural Network with Local Frame for Molecular Potential Energy SurfaceLOG IN (LOG IN), 2022
Xiyuan Wang
Muhan Zhang
144
13
0
01 Aug 2022
Edge-featured Graph Neural Architecture Search
Edge-featured Graph Neural Architecture Search
Shaofei Cai
Liang Li
Xinzhe Han
Zhengjun Zha
Qingming Huang
92
7
0
03 Sep 2021
Detect the Interactions that Matter in Matter: Geometric Attention for
  Many-Body Systems
Detect the Interactions that Matter in Matter: Geometric Attention for Many-Body Systems
Thorben Frank
Stefan Chmiela
157
3
0
04 Jun 2021
1