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Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D

5 May 2023

Papers citing "Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D"

27 / 27 papers shown

Title
Torsional Diffusion for Molecular Conformer Generation Bowen Jing Gabriele Corso Jeffrey Chang Regina Barzilay Tommi Jaakkola DiffM BDL 91 272 0 01 Jun 2022
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets Xingang Peng Shitong Luo Jiaqi Guan Qi Xie Jian-wei Peng Jianzhu Ma 74 189 0 15 May 2022
Diffusion Probabilistic Modeling for Video Generation Ruihan Yang Prakhar Srivastava Stephan Mandt DiffM VGen 128 266 0 16 Mar 2022
GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation Minkai Xu Lantao Yu Yang Song Chence Shi Stefano Ermon Jian Tang BDL DiffM 160 516 0 06 Mar 2022
Top-N: Equivariant set and graph generation without exchangeability Clément Vignac P. Frossard BDL 114 34 0 05 Oct 2021
HDMapGen: A Hierarchical Graph Generative Model of High Definition Maps Lu Mi Hang Zhao C. Nash Xiaohan Jin Jiyang Gao Chen Sun Cordelia Schmid Nir Shavit Yuning Chai Drago Anguelov 40 53 0 28 Jun 2021
Score-based Generative Modeling in Latent Space Arash Vahdat Karsten Kreis Jan Kautz DiffM 67 684 0 10 Jun 2021
Learning to design drug-like molecules in three-dimensional space using deep generative models Yibo Li Jianfeng Pei L. Lai DiffM 87 113 0 17 Apr 2021
MARS: Markov Molecular Sampling for Multi-objective Drug Discovery Yutong Xie Chence Shi Hao Zhou Yuwei Yang Weinan Zhang Yong Yu Lei Li 88 144 0 18 Mar 2021
E(n) Equivariant Graph Neural Networks Victor Garcia Satorras Emiel Hoogeboom Max Welling 111 1,020 0 19 Feb 2021
MolGrow: A Graph Normalizing Flow for Hierarchical Molecular Generation Maksim Kuznetsov Daniil Polykovskiy 57 43 0 03 Feb 2021
GEOM: Energy-annotated molecular conformations for property prediction and molecular generation Simon Axelrod Rafael Gómez-Bombarelli 3DV AI4CE 92 217 0 09 Jun 2020
Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities Jonas Köhler Leon Klein Frank Noé DRL 101 274 0 03 Jun 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 79 288 0 08 Feb 2020
Generalization in Generation: A closer look at Exposure Bias Florian Schmidt 91 89 0 01 Oct 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 123 209 0 02 Jun 2019
Exposure Bias versus Self-Recovery: Are Distortions Really Incremental for Autoregressive Text Generation? Tianxing He Jingzhao Zhang Zhiming Zhou James R. Glass 72 32 0 25 May 2019
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 112 711 0 22 Nov 2018
PointConv: Deep Convolutional Networks on 3D Point Clouds Wenxuan Wu Zhongang Qi Fuxin Li 3DPC 131 1,564 0 17 Nov 2018
Constrained Graph Variational Autoencoders for Molecule Design Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt BDL 77 456 0 23 May 2018
Syntax-Directed Variational Autoencoder for Structured Data H. Dai Yingtao Tian Bo Dai Steven Skiena Le Song 102 329 0 24 Feb 2018
Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds Nathaniel Thomas Tess E. Smidt S. Kearnes Lusann Yang Li Li Kai Kohlhoff Patrick F. Riley 3DPC 95 973 0 22 Feb 2018
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 117 851 0 09 Feb 2018
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
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 85 844 0 06 Mar 2017
Deep Unsupervised Learning using Nonequilibrium Thermodynamics Jascha Narain Sohl-Dickstein Eric A. Weiss Niru Maheswaranathan Surya Ganguli SyDa DiffM 306 7,005 0 12 Mar 2015