TAGMol: Target-Aware Gradient-guided Molecule Generation

3 June 2024

Papers citing "TAGMol: Target-Aware Gradient-guided Molecule Generation"

5 / 5 papers shown

Title
You Only Look One Step: Accelerating Backpropagation in Diffusion Sampling with Gradient Shortcuts Hongkun Dou Zeyu Li Xingyu Jiang H. Li Lijun Yang Wen Yao Yue Deng DiffM 27 0 0 12 May 2025
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 162 62 0 30 Sep 2022
A 3D Generative Model for Structure-Based Drug Design Shitong Luo Jiaqi Guan Jianzhu Ma Jian-wei Peng DiffM 65 176 0 20 Mar 2022
Learning a Continuous Representation of 3D Molecular Structures with Deep Generative Models Matthew Ragoza Tomohide Masuda D. Koes DiffM MedIm 59 25 0 17 Oct 2020
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 181 878 0 07 Jun 2018