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Motivation: Peptides have attracted the attention in this century due to their remarkable therapeutic properties. Computational tools are being developed to take advantage of existing information, encapsulating knowledge and making it…

Reproducibility in research remains hindered by complex systems involving data, models, tools, and algorithms. Studies highlight a reproducibility crisis due to a lack of standardized reporting, code and data sharing, and rigorous…

Software Engineering · Computer Science 2024-11-05 Venkat S. Malladi , Maria Yazykova , Olesya Melnichenko , Yulia Dubinina

Large language models (LLMs) have shown impressive performance on general-purpose tasks, yet adapting them to specific domains remains challenging due to the scarcity of high-quality domain data. Existing data synthesis tools often struggle…

Computation and Language · Computer Science 2025-07-08 Ziyang Miao , Qiyu Sun , Jingyuan Wang , Yuchen Gong , Yaowei Zheng , Shiqi Li , Richong Zhang

As software has become an integral part of scientific workflows, reproducible research practices must take it into account. In what way? Archiving source code is a necessary but insufficient condition. The ability to redeploy software…

Software Engineering · Computer Science 2021-12-09 Ludovic Courtès

The increasingly collaborative, globalized nature of scientific research combined with the need to share data and the explosion in data volumes present an urgent need for a scientific data management system (SDMS). An SDMS presents a…

Databases · Computer Science 2020-04-09 Dale Stansberry , Suhas Somnath , Jessica Breet , Gregory Shutt , Mallikarjun Shankar

The best way to calculate statistics from medical data is to use the data of individual patients. In some settings, this data is difficult to obtain due to privacy restrictions. In Germany, for example, it is not possible to pool routine…

Machine Learning · Statistics 2020-03-18 Stefan Lenz , Harald Binder

GomalizingFlow.jl: is a package to generate configurations for quantum field theory on the lattice using the flow based sampling algorithm in Julia programming language. This software serves two main purposes: to accelerate research of…

High Energy Physics - Lattice · Physics 2023-10-05 Akio Tomiya , Satoshi Terasaki

We introduce DiffOpt.jl, a Julia library to differentiate through the solution of optimization problems with respect to arbitrary parameters present in the objective and/or constraints. The library builds upon MathOptInterface, thus…

Machine Learning · Computer Science 2023-08-01 Mathieu Besançon , Joaquim Dias Garcia , Benoît Legat , Akshay Sharma

MacroEnergy.jl (aka Macro) is an open-source framework for multi-sector capacity expansion modeling and analysis of macro-energy systems. It is written in Julia and uses the JuMP package to interface with a wide range of mathematical…

Physics and Society · Physics 2025-10-28 Ruaridh Macdonald , Filippo Pecci , Luca Bonaldo , Jun Wen Law , Yu Weng , Dharik Mallapragada , Jesse Jenkins

Science depends heavily on reliable and easy-to-use software packages, such as mathematical libraries or data analysis tools. Developing such packages requires a lot of effort, which is too often avoided due to the lack of funding or…

Mathematical Software · Computer Science 2020-03-27 Michael Riesch , Tien Dat Nguyen , Christian Jirauschek

Like many groups considering the new programming language Julia, we faced the challenge of accessing the algorithms that we develop in Julia from R. Therefore, we developed the R package JuliaConnectoR, available from the CRAN repository…

Mathematical Software · Computer Science 2021-03-31 Stefan Lenz , Maren Hackenberg , Harald Binder

Stimela2 is a new-generation framework for developing data reduction workflows. It is designed for radio astronomy data but can be adapted for other data processing applications. Stimela2 aims at the middle ground between ease of…

Instrumentation and Methods for Astrophysics · Physics 2024-12-18 Oleg M. Smirnov , Sphesihle Makhathini , Jonathan S. Kenyon , Hertzog L. Bester , Simon J. Perkins , Athanaseus J. T. Ramaila , Benjamin V. Hugo

Spreadsheets provide a flexible and easy to use software development environment, but that leads to error proneness. Work has been done to prevent errors in spreadsheets, including using models to specify distinct parts of a spreadsheet as…

Software Engineering · Computer Science 2017-07-11 Jorge Mendes , João Saraiva

Recursive query processing has experienced a recent resurgence, as a result of its use in many modern application domains, including data integration, graph analytics, security, program analysis, networking and decision making. Due to the…

Databases · Computer Science 2018-12-11 Zhiwei Fan , Jianqiao Zhu , Zuyu Zhang , Aws Albarghouthi , Paraschos Koutris , Jignesh Patel

While the Machine Learning (ML) landscape is evolving rapidly, there has been a relative lag in the development of the "learning systems" needed to enable broad adoption. Furthermore, few such systems are designed to support the specialized…

Data models are necessary for the birth of data and of any data-driven system. Indeed, every algorithm, every machine learning model, every statistical model, and every database has an underlying data model without which the system would…

Databases · Computer Science 2025-02-13 George Fletcher , Olha Nahurna , Matvii Prytula , Julia Stoyanovich

Java implementations of algorithms used by spreadsheets to automatically recompute the set of cells dependent on a changed cell are described using a mathematical model for spreadsheets based on graph theory. These solutions comprise part…

Data Structures and Algorithms · Computer Science 2007-05-23 Joe Francoeur

The D4M tool was developed to address many of today's data needs. This tool is used by hundreds of researchers to perform complex analytics on unstructured data. Over the past few years, the D4M toolbox has evolved to support connectivity…

Databases · Computer Science 2017-11-09 Lauren Milechin , Vijay Gadepally , Siddharth Samsi , Jeremy Kepner , Alexander Chen , Dylan Hutchison

In today's Web and social network environments, query workloads include ad hoc and OLAP queries, as well as iterative algorithms that analyze data relationships (e.g., link analysis, clustering, learning). Modern DBMSs support ad hoc and…

Databases · Computer Science 2012-08-02 Svilen R. Mihaylov , Zachary G. Ives , Sudipto Guha

Whole Tale http://wholetale.org is a web-based, open-source platform for reproducible research supporting the creation, sharing, execution, and verification of "Tales" for the scientific research community. Tales are executable research…