Molecular geometry prediction using a deep generative graph neural network

31 March 2019

Papers citing "Molecular geometry prediction using a deep generative graph neural network"

10 / 10 papers shown

Title
Nonparametric Teaching for Graph Property Learners Chen Zhang Weixin Bu Zhaochun Ren Ziyue Liu Yik-Chung Wu Ngai Wong 123 0 0 20 May 2025
AI-Generated Content (AIGC) for Various Data Modalities: A Survey Lin Geng Foo Hossein Rahmani Jing Liu 165 31 0 27 Aug 2023
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 352 1,368 0 12 Feb 2018
GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders M. Simonovsky N. Komodakis GNN BDL 117 850 0 09 Feb 2018
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 593 7,455 0 04 Apr 2017
Molecular Graph Convolutions: Moving Beyond Fingerprints S. Kearnes Kevin McCloskey Marc Berndl Vijay S. Pande Patrick F. Riley GNN 151 1,449 0 02 Mar 2016
Adam: A Method for Stochastic Optimization Diederik P. Kingma Jimmy Ba ODL 1.8K 150,115 0 22 Dec 2014
Learning Phrase Representations using RNN Encoder-Decoder for Statistical Machine Translation Kyunghyun Cho B. V. Merrienboer Çağlar Gülçehre Dzmitry Bahdanau Fethi Bougares Holger Schwenk Yoshua Bengio AIMat 1.0K 23,354 0 03 Jun 2014
Spectral Networks and Locally Connected Networks on Graphs Joan Bruna Wojciech Zaremba Arthur Szlam Yann LeCun GNN 220 4,876 0 21 Dec 2013
Auto-Encoding Variational Bayes Diederik P. Kingma Max Welling BDL 452 16,929 0 20 Dec 2013