Molecule Design by Latent Space Energy-Based Modeling and Gradual Distribution Shifting

9 June 2023

Papers citing "Molecule Design by Latent Space Energy-Based Modeling and Gradual Distribution Shifting"

9 / 9 papers shown

Title
Latent Adaptive Planner for Dynamic Manipulation Donghun Noh Deqian Kong Minglu Zhao Andrew Lizarraga Jianwen Xie Ying Nian Wu Dennis W. Hong 127 0 0 06 May 2025
Latent Space Energy-based Neural ODEs Sheng Cheng Deqian Kong Jianwen Xie Kookjin Lee Ying Nian Wu Yezhou Yang DiffM 131 1 0 05 Sep 2024
Using GNN property predictors as molecule generators Felix Therrien Edward H. Sargent Oleksandr Voznyy 45 1 0 05 Jun 2024
Latent Energy-Based Odyssey: Black-Box Optimization via Expanded Exploration in the Energy-Based Latent Space Peiyu Yu Dinghuai Zhang Hengzhi He Xiaojian Ma Ruiyao Miao ... Deqian Kong Ruiqi Gao Jianwen Xie Guang Cheng Ying Nian Wu 48 5 0 27 May 2024
Molecule Design by Latent Prompt Transformer Deqian Kong Yuhao Huang Jianwen Xie Ying Nian Wu 17 3 0 05 Oct 2023
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 185 187 0 01 Feb 2021
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 197 633 0 29 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 206 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,340 0 12 Feb 2018