Co-Generative De Novo Functional Protein Design
XinRui Chen, YIZHEN LUO, Siqi Fan, Zaiqing Nie
摘要
De novo functional protein design aims to generate protein sequences that realize specified biochemical functions without relying on evolutionary templates, enabling broad applications in biotechnology and medicine. Existing approaches adopt either direct function-to-sequence mapping or decoupled structure-sequence generation strategies but often fail to achieve functionality and foldability simultaneously. To address this, we propose CodeFP , a Co -generative protein language model for de novo F unctional P rotein design that simultaneously decodes sequence and structure tokens, thereby enabling superior simultaneous realization of functionality and foldability. CodeFP utilizes functional local structures to enrich functional semantic encodings, overcoming the suboptimal translation of flat encodings into structure tokens, while introducing auxiliary functional supervision to alleviate training ambiguity stemming from the one-to-many structure-to-token mapping. Extensive experiments show that CodeFP consistently achieves average improvements of 6.1% in functional consistency and 3.2% in foldability over the strongest baseline.
问问这篇 Paper
智能体会读完全文。
Lune 把这篇 Paper 索引到了每一个公式,引用它的顶会 Paper 也一样。你提问,回答直接引用原文。
它引用的顶会 Paper8
- Structured Denoising Diffusion Models in Discrete State-SpacesJacob Austin, Daniel D. Johnson, Jonathan Ho, Daniel Tarlow 等NeurIPS 2021 · 被引用 2,256 次
- Language Model Beats Diffusion - Tokenizer is key to visual generationLijun Yu, José Lezama, Nitesh Bharadwaj Gundavarapu, Luca Versari 等ICLR 2024 · 被引用 609 次
- Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-DesignAndrew Campbell, Jason Yim, Regina Barzilay, Tom Rainforth 等ICML 2024 · 被引用 283 次
- Diffusion Language Models Are Versatile Protein LearnersXinyou Wang, Zaixiang Zheng, Fei Ye, Dongyu Xue 等ICML 2024 · 被引用 113 次
- Protein Design with Dynamic Protein VocabularyNuowei Liu, Jiahao Kuang, Yanting Liu, Tao Ji 等NeurIPS 2025 · 被引用 12 次
相关 Paper
- CFP-Gen: Combinatorial Functional Protein Generation via Diffusion Language ModelsJunbo Yin, Chao Zha, Wenjia He, Chencheng Xu 等ICML 2025
- MMCP-GEN: A Modality-Extensible Diffusion Language Model for Conditional Protein Sequence GenerationZeyu An, Wanyu Lin, Feng Tan, Shujun WangCVPR 2026
- DPLM-2: A Multimodal Diffusion Protein Language ModelXinyou Wang, Zaixiang Zheng, Fei Ye, Dongyu Xue 等ICLR 2025
- DS-ProGen: A Dual-Structure Deep Language Model for Functional Protein DesignYanting Li, Zikang Wang, Jiyue Jiang, Ziqian Lin 等AAAI 2026
- FoldToken: Learning Protein Language via Vector Quantization and BeyondZhangyang Gao, Cheng Tan, Jue Wang, Yufei Huang 等AAAI 2025 · 被引用 29 次
