Molecule Generation for Drug Design: a Graph Learning Perspective. - Nianzu Yang; Huaijin Wu; Junchi Yan; Xiaoyong Pan; Ye Yuan; Le Song (CoRR, 2022)

Quantum 3D Graph Learning with Applications to Molecule Embedding. - Ge Yan 001; Huaijin Wu; Junchi Yan (ICML, 2023)

EBMDock: Neural Probabilistic Protein-Protein Docking via a Differentiable Energy Model. - Huaijin Wu; Wei Liu 005; Yatao Bian; Jiaxiang Wu 001; Nianzu Yang; Junchi Yan (ICLR, 2024)

QVAE-Mole: The Quantum VAE with Spherical Latent Variable Learning for 3-D Molecule Generation. - Huaijin Wu; Xinyu Ye; Junchi Yan (NeurIPS, 2024)

Learning Plaintext-Ciphertext Cryptographic Problems via ANF-based SAT Instance Representation. - Xinhao Zheng; Yang Li 197; Cunxin Fan; Huaijin Wu; Xinhao Song; Junchi Yan (NeurIPS, 2024)

HShare: Fast LLM Decoding by Hierarchical Key-Value Sharing. - Huaijin Wu; Lianqiang Li; Hantao Huang; Tu Yi; Jihang Zhang; Minghui Yu; Junchi Yan (ICLR, 2025)