ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations

2 March 2021

Devi Parikh

Papers citing "ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations"

22 / 22 papers shown

Title
Relaxed Equivariance via Multitask Learning Ahmed A. A. Elhag T. Konstantin Rusch Francesco Di Giovanni Michael Bronstein 99 3 0 23 Oct 2024
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules Johannes Klicpera Shankari Giri Johannes T. Margraf Stephan Günnemann 79 324 0 28 Nov 2020
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 266 531 0 20 Oct 2020
An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage C. L. Zitnick L. Chanussot Abhishek Das Siddharth Goyal Javier Heras-Domingo ... Kevin Tran Brandon M. Wood Junwoong Yoon Devi Parikh Zachary W. Ulissi 63 75 0 14 Oct 2020
Directional Message Passing for Molecular Graphs Johannes Klicpera Janek Groß Stephan Günnemann 124 879 0 06 Mar 2020
Learning to Simulate Complex Physics with Graph Networks Alvaro Sanchez-Gonzalez Jonathan Godwin Tobias Pfaff Rex Ying J. Leskovec Peter W. Battaglia PINN AI4CE 143 1,101 0 21 Feb 2020
PyTorch: An Imperative Style, High-Performance Deep Learning Library Adam Paszke Sam Gross Francisco Massa Adam Lerer James Bradbury ... Sasank Chilamkurthy Benoit Steiner Lu Fang Junjie Bai Soumith Chintala ODL 520 42,559 0 03 Dec 2019
GNN-FiLM: Graph Neural Networks with Feature-wise Linear Modulation Marc Brockschmidt 69 139 0 28 Jun 2019
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models Guangyong Chen Pengfei Chen Chang-Yu Hsieh Chee-Kong Lee B. Liao ... J. Qiu Qiming Sun Jie Tang R. Zemel Shengyu Zhang 58 76 0 22 Jun 2019
Fast Graph Representation Learning with PyTorch Geometric Matthias Fey J. E. Lenssen 3DH GNN 3DPC 229 4,341 0 06 Mar 2019
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 243 7,681 0 01 Oct 2018
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 479 20,164 0 30 Oct 2017
Searching for Activation Functions Prajit Ramachandran Barret Zoph Quoc V. Le 69 609 0 16 Oct 2017
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions Kristof T. Schütt Pieter-Jan Kindermans Huziel Enoc Sauceda Felix Stefan Chmiela A. Tkatchenko K. Müller 155 1,076 0 26 Jun 2017
Inductive Representation Learning on Large Graphs William L. Hamilton Z. Ying J. Leskovec 509 15,300 0 07 Jun 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 596 7,485 0 04 Apr 2017
Interaction Networks for Learning about Objects, Relations and Physics Peter W. Battaglia Razvan Pascanu Matthew Lai Danilo Jimenez Rezende Koray Kavukcuoglu AI4CE OCL PINN GNN 543 1,412 0 01 Dec 2016
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 644 29,076 0 09 Sep 2016
Layer Normalization Jimmy Lei Ba J. Kiros Geoffrey E. Hinton 413 10,526 0 21 Jul 2016
Deep Residual Learning for Image Recognition Kaiming He Xinming Zhang Shaoqing Ren Jian Sun MedIm 2.2K 194,322 0 10 Dec 2015
Batch Normalization: Accelerating Deep Network Training by Reducing Internal Covariate Shift Sergey Ioffe Christian Szegedy OOD 463 43,328 0 11 Feb 2015
Adam: A Method for Stochastic Optimization Diederik P. Kingma Jimmy Ba ODL 1.9K 150,260 0 22 Dec 2014