4 papers
DCFold: Efficient Protein Structure Generation with Single Forward Pass
Zhe Zhang, Yuanning Feng, Yuxuan Song +3
AlphaFold3 introduces a diffusion-based architecture that elevates protein structure prediction to all-atom resolution with improved accuracy. This state-of-the-art performance has…
ShortListing Model: A Streamlined SimplexDiffusion for Discrete Variable Generation
Yuxuan Song, Zhe Zhang, Yu Pei +7
Generative modeling of discrete variables is challenging yet crucial for applications in natural language processing and biological sequence design. We introduce the Shortlisting M…
Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule
Keyue Qiu, Yuxuan Song, Zhehuan Fan +5
Structure-Based Drug Design (SBDD) is crucial for identifying bioactive molecules. Recent deep generative models are faced with challenges in geometric structure modeling. A major…
Steering Protein Family Design through Profile Bayesian Flow
Jingjing Gong, Yu Pei, Siyu Long +7
Protein family design emerges as a promising alternative by combining the advantages of de novo protein design and mutation-based directed evolution.In this paper, we propose Profi…