FastFlows: Flow-Based Models for Molecular Graph Generation

28 January 2022

Papers citing "FastFlows: Flow-Based Models for Molecular Graph Generation"

14 / 14 papers shown

Title
Deep Generative Modelling: A Comparative Review of VAEs, GANs, Normalizing Flows, Energy-Based and Autoregressive Models Sam Bond-Taylor Adam Leach Yang Long Chris G. Willcocks VLM TPM 87 499 0 08 Mar 2021
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei Wang BDL 114 292 0 17 Jun 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 158 438 0 26 Jan 2020
Normalizing Flows for Probabilistic Modeling and Inference George Papamakarios Eric T. Nalisnick Danilo Jimenez Rezende S. Mohamed Balaji Lakshminarayanan TPM AI4CE 175 1,687 0 05 Dec 2019
Graph Residual Flow for Molecular Graph Generation Shion Honda Hirotaka Akita Katsuhiko Ishiguro Toshiki Nakanishi Kenta Oono 52 42 0 30 Sep 2019
Residual Flows for Invertible Generative Modeling Ricky T. Q. Chen Jens Behrmann David Duvenaud J. Jacobsen BDL TPM DRL 80 377 0 06 Jun 2019
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs Kaushalya Madhawa Katushiko Ishiguro Kosuke Nakago Motoki Abe BDL 96 191 0 28 May 2019
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 243 648 0 29 Nov 2018
Glow: Generative Flow with Invertible 1x1 Convolutions Diederik P. Kingma Prafulla Dhariwal BDL DRL 257 3,124 0 09 Jul 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 274 902 0 07 Jun 2018
MolGAN: An implicit generative model for small molecular graphs Nicola De Cao Thomas Kipf GNN GAN 143 925 0 30 May 2018
Masked Autoregressive Flow for Density Estimation George Papamakarios Theo Pavlakou Iain Murray 165 1,349 0 19 May 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 147 2,921 0 07 Oct 2016
Faster Eigenvector Computation via Shift-and-Invert Preconditioning Dan Garber Laurent Dinh Chi Jin Jascha Narain Sohl-Dickstein Samy Bengio Praneeth Netrapalli Aaron Sidford 229 3,689 0 26 May 2016