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Predicting the effect of mutations in proteins is one of the most critical challenges in protein engineering; by knowing the effect a substitution of one (or several) residues in the protein's sequence has on its overall properties, could…

Computational Engineering, Finance, and Science · Computer Science 2020-10-08 David Medina-Ortiz , Sebastian Contreras , Juan Amado-Hinojosa , Jorge Torres-Almonacid , Juan A. Asenjo , Marcelo Navarrete , Álvaro Olivera-Nappa

Epitopes are short antigenic peptide sequences which are recognized by antibodies or immune cell receptors. These are central to the development of immunotherapies, vaccines, and diagnostics. However, the rational design of synthetic…

Generative deep learning techniques have demonstrated an impressive capacity for tackling biomolecular design problems in recent years. Despite their high performance, however, they still suffer from a lack of interpretability and rigorous…

Machine Learning · Computer Science 2026-04-06 Jyler Menard , R. A. Mansbach

Background: Since the invention of next-generation RNA sequencing (RNA-seq) technologies, they have become a powerful tool to study the presence and quantity of RNA molecules in biological samples and have revolutionized transcriptomic…

Genomics · Quantitative Biology 2021-12-01 Wei Vivian Li , Jingyi Jessica Li

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

sQUlearn introduces a user-friendly, NISQ-ready Python library for quantum machine learning (QML), designed for seamless integration with classical machine learning tools like scikit-learn. The library's dual-layer architecture serves both…

The vast majority of biological sequences encode unknown functions and bear little resemblance to experimentally characterized proteins, limiting both our understanding of biology and our ability to harness functional potential for the…

Quantitative Methods · Quantitative Biology 2026-02-19 Ashley Babjac , Adrienne Hoarfrost

Sequence diversity is one of the major challenges in the design of diagnostic, prophylactic and therapeutic interventions against viruses. DiMA is a novel tool that is big data-ready and designed to facilitate the dissection of sequence…

Background: The short reads output by first- and second-generation DNA sequencing instruments cannot completely reconstruct microbial chromosomes. Therefore, most genomes have been left unfinished due to the significant resources required…

Large language models make remarkable progress in reasoning capabilities. Existing works focus mainly on deductive reasoning tasks (e.g., code and math), while another type of reasoning mode that better aligns with human learning, inductive…

Computation and Language · Computer Science 2025-03-18 Kedi Chen , Zhikai Lei , Fan Zhang , Yinqi Zhang , Qin Chen , Jie Zhou , Liang He , Qipeng Guo , Kai Chen , Wei Zhang

Structural Equation Modeling (SEM) is an umbrella term that includes numerous multivariate statistical techniques that are employed throughout a plethora of research areas, ranging from social to natural sciences. Until recently, SEM…

Applications · Statistics 2021-06-10 Georgy Meshcheryakov , Anna A. Igolkina , Maria G. Samsonova

Next generation sequencing technology rapidly produces massive volume of data and quality control of this sequencing data is essential to any genomic analysis. Here we present MEEPTOOLS, which is a collection of open-source tools based on…

Genomics · Quantitative Biology 2015-12-11 Vishal N. Koparde , Hardik I. Parikh , Steven P. Bradley , Nihar U. Sheth

The in silico design of peptides and proteins as binders is useful for diagnosis and therapeutics due to their low adverse effects and major specificity. To select the most promising candidates, a key matter is to understand their…

Biomolecules · Quantitative Biology 2021-02-03 Rodrigo Ochoa , Miguel A. Soler , Alessandro Laio , Pilar Cossio

The progression of X-ray technology introduces diverse image styles that need to be adapted to the preferences of radiologists. To support this task, we introduce a novel deep learning-based metric that quantifies style differences of…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Dominik Eckert , Christopher Syben , Christian Hümmer , Ludwig Ritschl , Steffen Kappler , Sebastian Stober

Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…

Materials Science · Physics 2024-11-28 Y. -C. Hu , J. Tian

We define a metric on $\mathbb{F}_q^n$ using the linear complexity of finite sequences. We will then develop a coding theory for this metric. We will give a Singleton-like bound and we will give constructions of subspaces of…

Information Theory · Computer Science 2018-03-19 Tovohery Randrianarisoa

The overwhelming presence of categorical/sequential data in diverse domains emphasizes the importance of sequence mining. The challenging nature of sequences proves the need for continuing research to find a more accurate and faster…

Machine Learning · Computer Science 2022-04-26 Hadi Jahanshahi , Mustafa Gokce Baydogan

Reproducibility and reusability of the results of data-based modeling studies are essential. Yet, there has been -- so far -- no broadly supported format for the specification of parameter estimation problems in systems biology. Here, we…

Computing devices and associated software govern everyday life, and form the backbone of safety critical systems in banking, healthcare, automotive and other fields. Increasing system complexity, quickly evolving technologies and paradigm…

Software Engineering · Computer Science 2020-09-04 Arthur-Jozsef Molnar , Alexandra Neamţu , Simona Motogna

Pattern matching is a powerful tool which is part of many functional programming languages as well as computer algebra systems such as Mathematica. Among the existing systems, Mathematica offers the most expressive pattern matching.…

Symbolic Computation · Computer Science 2017-05-03 Manuel Krebber
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