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相关论文: A Text-guided Protein Design Framework

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Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the…

定量方法 · 定量生物学 2024-08-14 Kamyar Zeinalipour , Neda Jamshidi , Monica Bianchini , Marco Maggini , Marco Gori

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

机器学习 · 计算机科学 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

机器学习 · 计算机科学 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

生物大分子 · 定量生物学 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

生物大分子 · 定量生物学 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physicochemical world, forming a special kind of…

机器学习 · 计算机科学 2023-01-04 Lirong Wu , Yufei Huang , Haitao Lin , Stan Z. Li

We participated in three of the protein-protein interaction subtasks of the Second BioCreative Challenge: classification of abstracts relevant for protein-protein interaction (IAS), discovery of protein pairs (IPS) and text passages…

Function-guided protein design is a crucial task with significant applications in drug discovery and enzyme engineering. However, the field lacks a unified and comprehensive evaluation framework. Current models are assessed using…

机器学习 · 计算机科学 2025-09-30 Jiahao Kuang , Nuowei Liu , Jie Wang , Changzhi Sun , Tao Ji , Yuanbin Wu

Accurately finding proteins and genes that have a certain function is the prerequisite for a broad range of biomedical applications. Despite the encouraging progress of existing computational approaches in protein function prediction, it…

定量方法 · 定量生物学 2022-04-22 Hanwen Xu , Sheng Wang

Proteins are fundamental components of biological systems and can be represented through various modalities, including sequences, structures, and textual descriptions. Despite the advances in deep learning and scientific large language…

机器学习 · 计算机科学 2024-07-15 Zhiyuan Chen , Tianhao Chen , Chenggang Xie , Yang Xue , Xiaonan Zhang , Jingbo Zhou , Xiaomin Fang

Sequence generative models are transforming protein engineering. However, no principled framework exists for conditioning these models on auxiliary information, such as experimental data, without additional training of a generative model.…

AI-assisted protein design has emerged as a critical tool for advancing biotechnology, as deep generative models have demonstrated their reliability in this domain. However, most existing models primarily utilize protein sequence or…

计算工程、金融与科学 · 计算机科学 2026-05-27 Changjian Zhou , Yuexi Qiu , Jia Song

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

定量方法 · 定量生物学 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

机器学习 · 计算机科学 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

机器学习 · 计算机科学 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

Protein generative models have shown remarkable promise in protein design, yet their success rates remain constrained by reliance on curated sequence-structure datasets and by misalignment between supervised objectives and real design…

机器学习 · 计算机科学 2026-03-03 Ziwen Wang , Jiajun Fan , Ruihan Guo , Thao Nguyen , Heng Ji , Ge Liu

Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational…

定量方法 · 定量生物学 2024-10-08 Fei Ye , Zaixiang Zheng , Dongyu Xue , Yuning Shen , Lihao Wang , Yiming Ma , Yan Wang , Xinyou Wang , Xiangxin Zhou , Quanquan Gu

We introduce SldprtNet, a large-scale dataset comprising over 242,000 industrial parts, designed for semantic-driven CAD modeling, geometric deep learning, and the training and fine-tuning of multimodal models for 3D design. The dataset…

机器人学 · 计算机科学 2026-03-16 Ruogu Li , Sikai Li , Yao Mu , Mingyu Ding