Ni, Yuyan

10 publications

NeurIPS 2025 FIGRDock: Fast Interaction-Guided Regression for Flexible Docking Shikun Feng, Bicheng Lin, Yuanhuan Mo, Yuyan Ni, Wenyu Zhu, Bowen Gao, Wei-Ying Ma, Haitao Li, Yanyan Lan

NeurIPS 2025 Straight-Line Diffusion Model for Efficient 3D Molecular Generation Yuyan Ni, Shikun Feng, Haohan Chi, Bowen Zheng, Huan-ang Gao, Wei-Ying Ma, Zhi-Ming Ma, Yanyan Lan

ICLR 2025 UniGEM: A Unified Approach to Generation and Property Prediction for Molecules Shikun Feng, Yuyan Ni, Lu Yan, Zhi-Ming Ma, Wei-Ying Ma, Yanyan Lan

NeurIPS 2024 Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization Dingshuo Chen, Zhixun Li, Yuyan Ni, Guibin Zhang, Ding Wang, Qiang Liu, Shu Wu, Jeffrey Xu Yu, Liang Wang

ICLR 2024 Multimodal Molecular Pretraining via Modality Blending Qiying Yu, Yudi Zhang, Yuyan Ni, Shikun Feng, Yanyan Lan, Hao Zhou, Jingjing Liu

ICML 2024 Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion Bowen Gao, Minsi Ren, Yuyan Ni, Yanwen Huang, Bo Qiang, Zhi-Ming Ma, Wei-Ying Ma, Yanyan Lan

ICLR 2024 Self-Supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment Bowen Gao, Yinjun Jia, YuanLe Mo, Yuyan Ni, Wei-Ying Ma, Zhi-Ming Ma, Yanyan Lan

ICLR 2024 Sliced Denoising: A Physics-Informed Molecular Pre-Training Method Yuyan Ni, Shikun Feng, Wei-Ying Ma, Zhi-Ming Ma, Yanyan Lan

ICML 2024 UniCorn: A Unified Contrastive Learning Approach for Multi-View Molecular Representation Learning Shikun Feng, Yuyan Ni, Minghao Li, Yanwen Huang, Zhi-Ming Ma, Wei-Ying Ma, Yanyan Lan

ICML 2023 Fractional Denoising for 3D Molecular Pre-Training Shikun Feng, Yuyan Ni, Yanyan Lan, Zhi-Ming Ma, Wei-Ying Ma