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Related papers: ProGen: Language Modeling for Protein Generation

200 papers

Grammar plays a critical role in natural language processing and text/code generation by enabling the definition of syntax, the creation of parsers, and guiding structured outputs. Although large language models (LLMs) demonstrate…

Artificial Intelligence · Computer Science 2025-06-03 Weizhi Tang , Yixuan Li , Chris Sypherd , Elizabeth Polgreen , Vaishak Belle

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling…

Artificial Intelligence · Computer Science 2025-12-01 Fiona Y. Wang , Di Sheng Lee , David L. Kaplan , Markus J. Buehler

Protein engineering is an emerging field in biotechnology that has the potential to revolutionize various areas, such as antibody design, drug discovery, food security, ecology, and more. However, the mutational space involved is too vast…

Biomolecules · Quantitative Biology 2023-07-28 Yuchi Qiu , Guo-Wei Wei

Language Models (LLMs), such as transformer-based neural networks trained on billions of parameters, have become increasingly prevalent in software engineering (SE). These models, trained on extensive datasets that include code…

Software Engineering · Computer Science 2025-02-18 Daniel Rodriguez-Cardenas , Alejandro Velasco , Denys Poshyvanyk

Phylogenetic trees elucidate evolutionary relationships among species, but phylogenetic inference remains challenging due to the complexity of combining continuous (branch lengths) and discrete parameters (tree topology). Traditional Markov…

Populations and Evolution · Quantitative Biology 2024-12-30 ChenRui Duan , Zelin Zang , Siyuan Li , Yongjie Xu , Stan Z. Li

Existing PLMs generate protein sequences based on a single-condition constraint from a specific modality, struggling to simultaneously satisfy multiple constraints across different modalities. In this work, we introduce CFP-Gen, a novel…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Junbo Yin , Chao Zha , Wenjia He , Chencheng Xu , Xin Gao

Automated unit test generation is critical for software quality but traditional structure-driven methods often lack the semantic understanding required to produce realistic inputs and oracles. Large language models (LLMs) address this…

Software Engineering · Computer Science 2026-01-01 Bei Chu , Yang Feng , Kui Liu , Zhaoqiang Guo , Yichi Zhang , Hange Shi , Zifan Nan , Baowen Xu

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

The rapid advancement of large language models (LLMs) has sparked interest in data synthesis techniques, aiming to generate diverse and high-quality synthetic datasets. However, these synthetic datasets often suffer from a lack of diversity…

Computation and Language · Computer Science 2024-08-09 Himanshu Gupta , Kevin Scaria , Ujjwala Anantheswaran , Shreyas Verma , Mihir Parmar , Saurabh Arjun Sawant , Chitta Baral , Swaroop Mishra

Gene finding is the task of identifying the locations of coding sequences within the vast amount of genetic code contained in the genome. With an ever increasing quantity of raw genome sequences, gene finding is an important avenue towards…

Genomics · Quantitative Biology 2025-05-07 Frederikke I. Marin , Dennis Pultz , Wouter Boomsma

Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

Recent reasoning-based large language models have shown strong performance on tasks with verifiable outcomes, but their use in de novo molecular generation remains limited by the lack of training environments where rewards can be computed…

Machine Learning · Computer Science 2026-05-12 Philippe Formont , Maxime Darrin , Ismail Ben Ayed , Pablo Piantanida

Pre-trained transformer language models on large unlabeled corpus have produced state-of-the-art results in natural language processing, organic molecule design, and protein sequence generation. However, no such models have been applied to…

Designing proteins that satisfy natural language functional requirements is a central goal in protein engineering. A straightforward baseline is to fine-tune generic instruction-tuned LLMs as direct text-to-sequence generators, but this is…

Quantitative Methods · Quantitative Biology 2026-04-21 Yutang Ge , Guojiang Zhao , Sihang Li , Zheng Cheng , Zifeng Zhao , Hanchen Xia , Guolin Ke , Linfeng Zhang , Zhifeng Gao , Yuguang Wang

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Generative models reliant on sequential autoregression have been at the forefront of language generation for an extensive period, particularly following the introduction of widely acclaimed transformers. Despite its excellent performance,…

Computation and Language · Computer Science 2024-06-21 Yaguang Li , Xin Chen

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

Machine Learning · Computer Science 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy