Yang Zhang

Full Professor, National University of Singapore

5 papers at NeurIPS 2025

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Poster Session 3

1 paper

Thursday, December 4, 2025 · 11:00 AM → 2:00 PM

Exhibit Hall C,D,E

EnzyControl: Adding Functional and Substrate-Specific Control for Enzyme Backbone Generation

#104 · Chao Song, Zhiyuan Liu, Han Huang, Liang Wang, Qiong Wang, Jian-Yu Shi, Hui Yu, Yihang Zhou, Yang Zhang

We propose EnzyControl, a method that integrates a lightweight, modular component into a pretrained motif-scaffolding model to enable functional and substrate-specific control over enzyme backbone generation.

Poster Session 4

1 paper

Thursday, December 4, 2025 · 4:30 PM → 7:30 PM

Exhibit Hall C,D,E

Learning 3D Anisotropic Noise Distributions Improves Molecular Force Fields

#1706 · Xixian Liu, Rui Jiao, Zhiyuan Liu, Yurou Liu, Yang Liu, Ziheng Lu, Wenbing Huang, Yang Zhang, Yixin Cao

Poster Session 6

3 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

PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs

#1609 · Xinzhe Zheng, Hao Du, Fanding Xu, Jinzhe Li, Zhiyuan Liu, WenkangWang, Tao Chen, Wanli Ouyang, Stan Z. Li, Yan Lu, Nanqing Dong, Yang Zhang

ProteinConformers: Benchmark Dataset for Simulating Protein Conformational Landscape Diversity and Plausibility

#1711 · Yihang Zhou, Chen Wei, Minghao Sun, Jin Song, Yang Li, Lin Wang, Yang Zhang

ProteinConformers is a novel large benchmark dataset enabling better evaluation of protein structure generators by capturing realistic conformational diversity and plausibility and proposing new assessment metrics.