Yinjun Jia

Postdoc, Tsinghua University

3 papers at NeurIPS 2025

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Poster Session 1

2 papers

Wednesday, December 3, 2025 · 11:00 AM → 2:00 PM

Exhibit Hall C,D,E

AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation

#1608 · Wenyu Zhu, Jianhui Wang, Bowen Gao, Yinjun Jia, Haichuan Tan, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan

CPSea: Large-scale cyclic peptide-protein complex dataset for machine learning in cyclic peptide design

#1602 · Ziyi Yang, Hanyuan Xie, Yinjun Jia, Xiangzhe Kong, Jiqing Zheng, Ziting Zhang, Yang Liu, Lei Liu, Yanyan Lan

A synthetic cyclic peptide-protein complex dataset derived from AFDB, facilitating training cyclic peptide binder design model from scratch for the first time.

Poster Session 2

1 paper

Wednesday, December 3, 2025 · 4:30 PM → 7:30 PM

Exhibit Hall C,D,E

Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space

#1501 · Zitao Chen, Yinjun Jia, Zitong Tian, Wei-Ying Ma, Yanyan Lan

We present the first variational autoencoder (VAE) model for 3D molecules that operates within a fixed-dimensional, E(3)-equivariant latent space, independent of atom counts.