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2010.09990
Cited By
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
20 October 2020
L. Chanussot
Abhishek Das
Siddharth Goyal
Thibaut Lavril
Muhammed Shuaibi
M. Rivière
Kevin Tran
Javier Heras-Domingo
Caleb Ho
Weihua Hu
Aini Palizhati
Anuroop Sriram
Brandon M. Wood
Junwoong Yoon
Devi Parikh
C. L. Zitnick
Zachary W. Ulissi
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Papers citing
"The Open Catalyst 2020 (OC20) Dataset and Community Challenges"
9 / 59 papers shown
Title
Graph Neural Networks Accelerated Molecular Dynamics
Zijie Li
Kazem Meidani
Prakarsh Yadav
A. Farimani
GNN
AI4CE
18
53
0
06 Dec 2021
Geometric and Physical Quantities Improve E(3) Equivariant Message Passing
Johannes Brandstetter
Rob D. Hesselink
Elise van der Pol
Erik J. Bekkers
Max Welling
17
229
0
06 Oct 2021
Rotation Invariant Graph Neural Networks using Spin Convolutions
Muhammed Shuaibi
Adeesh Kolluru
Abhishek Das
Aditya Grover
Anuroop Sriram
Zachary W. Ulissi
C. L. Zitnick
AI4CE
27
67
0
17 Jun 2021
Simple GNN Regularisation for 3D Molecular Property Prediction & Beyond
Jonathan Godwin
Michael Schaarschmidt
Alex Gaunt
Alvaro Sanchez-Gonzalez
Yulia Rubanova
Petar Velivcković
J. Kirkpatrick
Peter W. Battaglia
39
60
0
15 Jun 2021
GemNet: Universal Directional Graph Neural Networks for Molecules
Johannes Klicpera
Florian Becker
Stephan Günnemann
AI4CE
24
434
0
02 Jun 2021
ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations
Weihua Hu
Muhammed Shuaibi
Abhishek Das
Siddharth Goyal
Anuroop Sriram
J. Leskovec
Devi Parikh
C. L. Zitnick
GNN
AI4CE
44
67
0
02 Mar 2021
Large-Scale Representation Learning on Graphs via Bootstrapping
S. Thakoor
Corentin Tallec
M. G. Azar
Mehdi Azabou
Eva L. Dyer
Rémi Munos
Petar Velivcković
Michal Valko
SSL
27
216
0
12 Feb 2021
A Universal Framework for Featurization of Atomistic Systems
Xiangyun Lei
A. Medford
AI4CE
21
19
0
04 Feb 2021
Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion
F. Jirasek
Rodrigo Alves
J. Damay
Robert A. Vandermeulen
Robert Bamler
Michael Bortz
Stephan Mandt
Marius Kloft
Hans Hasse
160
68
0
29 Jan 2020
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