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3D molecule generation

3 papers across 2 sessions

Poster Session 3

1 paper
Thursday, December 4, 2025 · 11:00 AM → 2:00 PM
Exhibit Hall C,D,E
Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration
#1713 · Seungyeon Choi, Hwanhee Kim, Chihyun Park, Dahyeon Lee, Seungyong Lee, Yoonju Kim, Hyoungjoon Park, Sein Kwon, Youngwan Jo, Sanghyun Park

This study proposes a Bayesian Flow Network integrated with gradient-based guidance to generate molecules satisfying diverse properties.

Poster Session 6

2 papers
Friday, December 5, 2025 · 4:30 PM → 7:30 PM
Exhibit Hall C,D,E
Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling
#1602 · Yanchen Luo, ZHIYUAN LIU, Yi Zhao, Sihang Li, Hengxing Cai, Kenji Kawaguchi, Tat-Seng Chua, Yang Zhang, Xiang Wang
Accelerating 3D Molecule Generative Models with Trajectory Diagnosis
#1506 · Zhilong Zhang, Yuxuan Song, Yichun Wang, Jingjing Gong, Hanlin Wu, Dongzhan Zhou, Hao Zhou, Wei-Ying Ma

A novel method for fast 3D molecule generation