Towards Efficient Molecular Property Optimization with Graph Energy Based Models

17 February 2025

Papers citing "Towards Efficient Molecular Property Optimization with Graph Energy Based Models"

6 / 6 papers shown

Title
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 209 198 0 01 Feb 2021
GraphEBM: Molecular Graph Generation with Energy-Based Models Meng Liu Keqiang Yan Bora Oztekin Shuiwang Ji 56 88 0 31 Jan 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 156 437 0 26 Jan 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 315 1,366 0 12 Feb 2018
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 552 28,964 0 09 Sep 2016