6 citations · 17 across the 10 of their papers we have counts for
6 papers · 1 filter
ProtFlow: Fast Protein Sequence Design via Flow Matching on Compressed Protein Language Model Embeddings
Zitai Kong, Yiheng Zhu, Yinlong Xu +7
The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion mode…
A Generalist Cross-Domain Molecular Learning Framework for Structure-Based Drug Discovery
Yiheng Zhu, Mingyang Li, Junlong Liu +7
Structure-based drug discovery (SBDD) is a systematic scientific process that develops new drugs by leveraging the detailed physical structure of the target protein. Recent advance…
SALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning
Mingze Yin, Hanjing Zhou, Jialu Wu +8
Antibodies safeguard our health through their precise and potent binding to specific antigens, demonstrating promising therapeutic efficacy in the treatment of numerous diseases, i…
Bridge-IF: Learning Inverse Protein Folding with Markov Bridges
Yiheng Zhu, Jialu Wu, Qiuyi Li +7
Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the deve…
MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation
Yiheng Zhu, Zhenqiu Ouyang, Ben Liao +5
Molecular de novo design is a critical yet challenging task in scientific fields, aiming to design novel molecular structures with desired property profiles. Significant progress h…
Sample-efficient Multi-objective Molecular Optimization with GFlowNets
Yiheng Zhu, Jialu Wu, Chaowen Hu +4
Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical s…