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This study investigates the current landscape and future directions of protein foundation model research. While recent advancements have transformed protein science and engineering, the field lacks a comprehensive benchmark for fair…

Biomolecules · Quantitative Biology 2025-06-19 Zhangyang Gao , Hao Wang , Cheng Tan , Chenrui Xu , Mengdi Liu , Bozhen Hu , Linlin Chao , Xiaoming Zhang , Stan Z. Li

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Recent advances in de novo protein binder design have enabled increasing experimental validation, yet reported in silico metrics remain difficult to interpret or compare across studies due to non-standardized evaluation protocols. We…

Quantitative Methods · Quantitative Biology 2026-05-25 Cong Liu , Milong Ren , Jiaqi Guan , Chengyue Gong , Jinyuan Sun , Xinshi Chen , Wenzhi Xiao

Structure-based protein design has attracted increasing interest, with numerous methods being introduced in recent years. However, a universally accepted method for evaluation has not been established, since the wet-lab validation can be…

Quantitative Methods · Quantitative Biology 2023-12-04 Chuanrui Wang , Bozitao Zhong , Zuobai Zhang , Narendra Chaudhary , Sanchit Misra , Jian Tang

The motif-scaffolding problem is a central task in computational protein design: Given the coordinates of atoms in a geometry chosen to confer a desired biochemical function (a motif), the task is to identify diverse protein structures…

Machine Learning · Computer Science 2025-02-20 Zhuoqi Zheng , Bo Zhang , Kieran Didi , Kevin K. Yang , Jason Yim , Joseph L. Watson , Hai-Feng Chen , Brian L. Trippe

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…

Quantitative Methods · Quantitative Biology 2024-10-08 Fei Ye , Zaixiang Zheng , Dongyu Xue , Yuning Shen , Lihao Wang , Yiming Ma , Yan Wang , Xinyou Wang , Xiangxin Zhou , Quanquan Gu

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the high-throughput analysis of protein composition in biological tissues. Many deep learning methods have been developed for \emph{de novo} peptide…

Quantitative Methods · Quantitative Biology 2024-11-01 Jingbo Zhou , Shaorong Chen , Jun Xia , Sizhe Liu , Tianze Ling , Wenjie Du , Yue Liu , Jianwei Yin , Stan Z. Li

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…

Biomolecules · Quantitative Biology 2024-09-17 Boqiao Lai

Structure-based drug design (SBDD) aims to generate potential drugs that can bind to a target protein and is greatly expedited by the aid of AI techniques in generative models. However, a lack of systematic understanding persists due to the…

Machine Learning · Computer Science 2024-10-11 Haitao Lin , Guojiang Zhao , Odin Zhang , Yufei Huang , Lirong Wu , Zicheng Liu , Siyuan Li , Cheng Tan , Zhifeng Gao , Stan Z. Li

Predicting protein complex structures is essential for protein function analysis, protein design, and drug discovery. While AI methods like AlphaFold can predict accurate structural models for many protein complexes, reliably estimating the…

Biomolecules · Quantitative Biology 2025-05-30 Pawan Neupane , Jian Liu , Jianlin Cheng

The Genomic Foundation Model (GFM) paradigm is expected to facilitate the extraction of generalizable representations from massive genomic data, thereby enabling their application across a spectrum of downstream applications. Despite…

Genomics · Quantitative Biology 2024-06-06 Zicheng Liu , Jiahui Li , Siyuan Li , Zelin Zang , Cheng Tan , Yufei Huang , Yajing Bai , Stan Z. Li

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Tianfan Fu

A critical yet frequently overlooked challenge in the field of deepfake detection is the lack of a standardized, unified, comprehensive benchmark. This issue leads to unfair performance comparisons and potentially misleading results.…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Zhiyuan Yan , Yong Zhang , Xinhang Yuan , Siwei Lyu , Baoyuan Wu

De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application areas, models for molecular design based on…

Quantitative Methods · Quantitative Biology 2021-01-05 Nathan Brown , Marco Fiscato , Marwin H. S. Segler , Alain C. Vaucher

DevBench is a telemetry-driven benchmark designed to evaluate Large Language Models (LLMs) on realistic code completion tasks. It includes 1,800 evaluation instances across six programming languages and six task categories derived from real…

Machine Learning · Computer Science 2026-05-19 Adarsh Kumarappan , Pareesa Ameneh Golnari , Wen Wen , Xiaoyu Liu , Gabriel Ryan , Yuting Sun , Shengyu Fu , Elsie Nallipogu

SE(3)-based generative models have shown great promise in protein geometry modeling and effective structure design. However, the field currently lacks a modularized benchmark to enable comprehensive investigation and fair comparison of…

Machine Learning · Computer Science 2025-07-29 Lang Yu , Zhangyang Gao , Cheng Tan , Qin Chen , Jie Zhou , Liang He

Protein design aims to compose amino-acid sequences that fold into stable three-dimensional structures while satisfying targeted functional properties. The field is increasingly shifting toward vibe protein design, where a single model is…

Layout-guided text-to-image models offer greater control over the generation process by explicitly conditioning image synthesis on the spatial arrangement of elements. As a result, their adoption has increased in many computer vision…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Elena Izzo , Luca Parolari , Davide Vezzaro , Lamberto Ballan

Depth estimation is a fundamental task in computer vision with diverse applications. Recent advancements in deep learning have led to powerful depth foundation models (DFMs), yet their evaluation remains challenging due to inconsistencies…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Zhenyu Li , Haotong Lin , Jiashi Feng , Peter Wonka , Bingyi Kang
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