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Related papers: Large scale paired antibody language models

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Nanobodies -- single-domain antibody fragments derived from camelid heavy-chain-only antibodies -- exhibit unique advantages such as compact size, high stability, and strong binding affinity, making them valuable tools in therapeutics and…

Machine Learning · Computer Science 2025-07-29 Yiming Zhang , Koji Tsuda

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in…

Quantitative Methods · Quantitative Biology 2024-07-09 Yiqing Shen , Zan Chen , Michail Mamalakis , Luhan He , Haiyang Xia , Tianbin Li , Yanzhou Su , Junjun He , Yu Guang Wang

Large Language Models (LLMs) have demonstrated remarkable performance across various information-seeking and reasoning tasks. These computational systems drive state-of-the-art dialogue systems, such as ChatGPT and Bard. They also carry…

Computation and Language · Computer Science 2023-10-13 Siyuan Brandon Loh , Aravind Sesagiri Raamkumar

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…

Quantitative Methods · Quantitative Biology 2024-08-14 Kamyar Zeinalipour , Neda Jamshidi , Monica Bianchini , Marco Maggini , Marco Gori

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Quantitative Methods · Quantitative Biology 2025-08-27 Mahsa Sheikholeslami , Navid Mazrouei , Yousof Gheisari , Afshin Fasihi , Matin Irajpour , Ali Motahharynia

Artificial intelligence (AI) is accelerating progress in modeling T and B cell receptors by enabling predictive and generative frameworks grounded in sequence data and immune context. This chapter surveys recent advances in the use of…

Biomolecules · Quantitative Biology 2026-01-30 Linhui Xie , Aurelien Pelissier , Yanjun Shao , Maria Rodriguez Martinez

We introduce IT5, the first family of encoder-decoder transformer models pretrained specifically on Italian. We document and perform a thorough cleaning procedure for a large Italian corpus and use it to pretrain four IT5 model sizes. We…

Computation and Language · Computer Science 2024-05-21 Gabriele Sarti , Malvina Nissim

The complementarity-determining regions of antibodies are loop structures that are key to their interactions with antigens, and of high importance to the design of novel biologics. Since the 1980s, categorizing the diversity of CDR…

Biomolecules · Quantitative Biology 2025-09-11 Ada Fang , Robert G. Alberstein , Simon Kelow , Frédéric A. Dreyer

Antibodies safeguard our health through their precise and potent binding to specific antigens, demonstrating promising therapeutic efficacy in the treatment of numerous diseases, including COVID-19. Recent advancements in biomedical…

Machine Learning · Computer Science 2024-11-26 Mingze Yin , Hanjing Zhou , Jialu Wu , Yiheng Zhu , Yuxuan Zhan , Zitai Kong , Hongxia Xu , Chang-Yu Hsieh , Jintai Chen , Tingjun Hou , Jian Wu

In this study, we generate and maintain a database of 10 million virtual lipids through METiS's in-house de novo lipid generation algorithms and lipid virtual screening techniques. These virtual lipids serve as a corpus for pre-training,…

Computation and Language · Computer Science 2025-05-06 Tianhao Yu , Cai Yao , Zhuorui Sun , Feng Shi , Lin Zhang , Kangjie Lyu , Xuan Bai , Andong Liu , Xicheng Zhang , Jiali Zou , Wenshou Wang , Chris Lai , Kai Wang

Antibodies play a central role in the immune response by specifically recognizing and neutralizing antigens, and therapeutic antibodies have become major drugs for cancer and autoimmune diseases. However, their discovery still relies on…

Quantitative Methods · Quantitative Biology 2026-05-29 Xiao Luo

Pre-trained models for Natural Languages (NL) like BERT and GPT have been recently shown to transfer well to Programming Languages (PL) and largely benefit a broad set of code-related tasks. Despite their success, most current methods…

Computation and Language · Computer Science 2021-09-03 Yue Wang , Weishi Wang , Shafiq Joty , Steven C. H. Hoi

The aim of this paper is to evaluate whether large language models trained on multi-choice question data can be used to discriminate between medical subjects. This is an important and challenging task for automatic question answering. To…

Computation and Language · Computer Science 2024-03-22 Víctor Ponce-López

The capabilities of AI for biomedicine span a wide spectrum, from the atomic level, where it solves partial differential equations for quantum systems, to the molecular level, predicting chemical or protein structures, and further extending…

Computation and Language · Computer Science 2024-03-26 Zhenyu Bi , Sajib Acharjee Dip , Daniel Hajialigol , Sindhura Kommu , Hanwen Liu , Meng Lu , Xuan Wang

Antibodies, a prominent class of approved biologics, play a crucial role in detecting foreign antigens. The effectiveness of antigen neutralisation and elimination hinges upon the strength, sensitivity, and specificity of the…

Quantitative Methods · Quantitative Biology 2023-09-06 Bruna Moreira da Silva , David B. Ascher , Nicholas Geard , Douglas E. V. Pires

Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending…

Computational Engineering, Finance, and Science · Computer Science 2025-01-24 Chao Wang , Hehe Fan , Ruijie Quan , Yi Yang

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Large language models (LLMs) such as ChatGPT have gained considerable interest across diverse research communities. Their notable ability for text completion and generation has inaugurated a novel paradigm for language-interfaced problem…

Quantitative Methods · Quantitative Biology 2024-02-22 Hengchuang Yin , Zhonghui Gu , Fanhao Wang , Yiparemu Abuduhaibaier , Yanqiao Zhu , Xinming Tu , Xian-Sheng Hua , Xiao Luo , Yizhou Sun