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Related papers: S$^2$ALM: Sequence-Structure Pre-trained Large Lan…

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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…

Machine Learning · Computer Science 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Inspired by the success of large language models (LLM) for DNA and proteins, several LLM for RNA have been developed recently. RNA-LLM uses large datasets of RNA sequences to learn, in a self-supervised way, how to represent each RNA base…

Artificial Intelligence · Computer Science 2025-02-04 L. I. Zablocki , L. A. Bugnon , M. Gerard , L. Di Persia , G. Stegmayer , D. H. Milone

Large Language Models (LLMs) have demonstrated remarkable performance across various domains, including healthcare. However, their ability to effectively represent structured non-textual data, such as the alphanumeric medical codes used in…

Large language models applied to vast biological datasets have the potential to transform biology by uncovering disease mechanisms and accelerating drug development. However, current models are often siloed, trained separately on…

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

This paper introduces SBAN (Source code, Binary, Assembly, and Natural Language Description), a large-scale, multi-dimensional dataset designed to advance the pre-training and evaluation of large language models (LLMs) for software code…

Information Retrieval · Computer Science 2025-10-28 Hamed Jelodar , Mohammad Meymani , Samita Bai , Roozbeh Razavi-Far , Ali A. Ghorbani

Predicting protein function from sequence is a central challenge in computational biology. While existing methods rely heavily on structured ontologies or similarity-based techniques, they often lack the flexibility to express…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Xiao Fei , Michail Chatzianastasis , Sarah Almeida Carneiro , Hadi Abdine , Lawrence P. Petalidis , Michalis Vazirgiannis

The specific region of an antibody responsible for binding to an antigen, known as the paratope, is essential for immune recognition. Accurate identification of this small yet critical region can accelerate the development of therapeutic…

Biomolecules · Quantitative Biology 2025-10-08 Gabriel Athènes , Adam Woolfe , Thierry Mora , Aleksandra M. Walczak

Large language models (LLMs) and emerging agentic frameworks are beginning to transform single-cell biology by enabling natural-language reasoning, generative annotation, and multimodal data integration. However, progress remains fragmented…

Computation and Language · Computer Science 2025-11-25 Sajib Acharjee Dip , Adrika Zafor , Bikash Kumar Paul , Uddip Acharjee Shuvo , Muhit Islam Emon , Xuan Wang , Liqing Zhang

Antibody-facilitated immune responses are central to the body's defense against pathogens, viruses, and other foreign invaders. The ability of antibodies to specifically bind and neutralize antigens is vital for maintaining immunity. Over…

Machine Learning · Computer Science 2025-06-12 Delower Hossain , Ehsan Saghapour , Kevin Song , Jake Y. Chen

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Single-cell RNA sequencing (scRNA-seq) data is a potent tool for comprehending the "language of life" and can provide insights into various downstream biomedical tasks. Large-scale language models (LLMs) are starting to be used for cell…

Computational Engineering, Finance, and Science · Computer Science 2023-06-08 Suyuan Zhao , Jiahuan Zhang , Zaiqing Nie

Predicting the binding affinity between antigens and antibodies is fundamental to drug discovery and vaccine development. Traditional computational approaches often rely on experimentally determined 3D structures, which are scarce and…

Machine Learning · Computer Science 2025-12-29 Aicha Boutorh , Soumia Bouyahiaoui , Sara Belhadj , Nour El Yakine Guendouz , Manel Kara Laouar

Large language models (LLMs) have shown strong ability in generating rich representations across domains such as natural language processing and generation, computer vision, and multimodal learning. However, their application in biomedical…

Genomics · Quantitative Biology 2025-09-30 Luxuan Zhang , Douglas Jiang , Qinglong Wang , Haoqi Sun , Feng Tian

The 2024 Nobel Prize in Chemistry was awarded in part for protein structure prediction using AlphaFold2, an artificial intelligence/machine learning (AI/ML) model trained on vast amounts of sequence and 3D structure data. AlphaFold2 and…

Biomolecules · Quantitative Biology 2025-04-22 Alexander M. Ille , Emily Anas , Michael B. Mathews , Stephen K. Burley

Audio-Language Models (ALMs), trained on paired audio-text data, are designed to process, understand, and reason about audio-centric multimodal content. Unlike traditional supervised approaches that use predefined labels, ALMs leverage…

Sound · Computer Science 2026-03-13 Yi Su , Jisheng Bai , Qisheng Xu , Kele Xu , Yong Dou

Recent rapid progress in the field of computational pathology has been enabled by foundation models. These models are beginning to move beyond encoding image patches towards whole-slide understanding but their clinical utility remains…

Antibodies are crucial proteins produced by the immune system to eliminate harmful foreign substances and have become pivotal therapeutic agents for treating human diseases. To accelerate the discovery of antibody therapeutics, there is…

Machine Learning · Computer Science 2024-10-17 Hirofumi Tsuruta , Hiroyuki Yamazaki , Ryota Maeda , Ryotaro Tamura , Akihiro Imura