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In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy…

软件工程 · 计算机科学 2025-08-12 Jakub Adamczyk , Piotr Ludynia

Blindspots in APIs can cause software engineers to introduce vulnerabilities, but such blindspots are, unfortunately, common. We study the effect APIs with blindspots have on developers in two languages by replicating an 109-developer,…

软件工程 · 计算机科学 2021-03-11 Yuriy Brun , Tian Lin , Jessie Elise Somerville , Elisha Myers , Natalie C. Ebner

Computational thinking in physics has many different forms, definitions, and implementations depending on the level of physics, or the institution it is presented in. In order to better integrate computational thinking in introductory…

物理教育 · 物理学 2023-08-08 Justin Gambrell , Eric Brewe

Open source software projects usually acknowledge contributions with text files, websites, and other idiosyncratic methods. These data sources are hard to mine, which is why contributorship is most frequently measured through changes to…

Developers prefer to utilize third-party libraries when they implement some functionalities and Application Programming Interfaces (APIs) are frequently used by them. Facing an unfamiliar API, developers tend to consult tutorials as…

软件工程 · 计算机科学 2017-03-07 He Jiang , Jingxuan Zhang , Xiaochen Li , Zhilei Ren , David Lo

AI-assisted development tools promise productivity gains and improved code quality, yet their adoption among developers remains inconsistent. Prior research suggests that professional expertise influences technology adoption, but its role…

人机交互 · 计算机科学 2025-04-22 Ilya Zakharov , Ekaterina Koshchenko , Agnia Sergeyuk

Python is a popular programming language known for its flexibility, usability, readability, and focus on developer productivity. The quantum software community has adopted Python on a number of large-scale efforts due to these…

量子物理 · 物理学 2021-05-12 Thien Nguyen , Alexander J. McCaskey

pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…

定量方法 · 定量生物学 2022-05-05 David E. Graff , Connor W. Coley

This paper aims to explore fundamental questions in the era when AI coding assistants like GitHub Copilot are widely adopted: what do developers truly value and criticize in AI coding assistants, and what does this reveal about their needs…

软件工程 · 计算机科学 2025-08-19 Yunbo Lyu , Zhou Yang , Jieke Shi , Jianming Chang , Yue Liu , David Lo

Large language models (LLMs) are being increasingly adopted for programming work. Prior work shows that while LLMs accelerate task completion for professional programmers, beginning programmers struggle to prompt models effectively.…

软件工程 · 计算机科学 2025-04-29 Yangtian Zi , Luisa Li , Arjun Guha , Carolyn Jane Anderson , Molly Q Feldman

In Open Source Software, resources of any project are open for reuse by introducing dependencies or copying the resource itself. In contrast to dependency-based reuse, the infrastructure to systematically support copy-based reuse appears to…

软件工程 · 计算机科学 2025-01-30 Mahmoud Jahanshahi , David Reid , Audris Mockus

The Python programming language is best known for its syntax and scientific libraries, but it is also notorious for its slow interpreter. Optimizing critical sections in Python entails special knowledge of the binary interactions between…

编程语言 · 计算机科学 2025-07-02 Isabella Basso do Amaral , Renato Cordeiro Ferreira , Alfredo Goldman

In software development, the identification of source code file experts is an important task. Identifying these experts helps to improve software maintenance and evolution activities, such as developing new features, code reviews, and bug…

软件工程 · 计算机科学 2022-08-17 Otávio Cury , Guilherme Avelino , Pedro Santos Neto , Ricardo Britto , Marco Túlio Valente

Aggregate programming is a field-based coordination paradigm with over a decade of exploration and successful applications across domains including sensor networks, robotics, and IoT, with implementations in various programming languages,…

软件工程 · 计算机科学 2026-04-01 Gianluca Aguzzi , Davide Domini , Nicolas Farabegoli , Mirko Viroli

Python applications depend on third-party native libraries that may be vendored within package distributions or installed on the host system. When vulnerabilities are discovered in these native libraries, determining which Python packages…

Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…

软件工程 · 计算机科学 2025-07-09 S. Lee , C. Myers , A. Yang , T. Zhang , S. J. L. Billinge

Robust estimation provides essential tools for analyzing data that contain outliers, ensuring that statistical models remain reliable even in the presence of some anomalous data. While robust methods have long been available in R, users of…

统计计算 · 统计学 2024-11-05 Sarah Leyder , Jakob Raymaekers , Peter J. Rousseeuw , Thomas Servotte , Tim Verdonck

LLMs promise to democratize technical work in complex domains like programmatic data analysis, but not everyone benefits equally. We study how students with varied experiences use LLMs to complete Python-based data analysis in computational…

人机交互 · 计算机科学 2026-02-03 Qianou Ma , Kenneth Koedinger , Tongshuang Wu

Background: Ad hoc parsers are pieces of code that use common string functions like split, trim, or slice to effectively perform parsing. Whether it is handling command-line arguments, reading configuration files, parsing custom file…

软件工程 · 计算机科学 2023-04-20 Michael Schröder , Marc Goritschnig , Jürgen Cito

Software libraries are central to the functionality, security, and maintainability of modern code. As developers increasingly turn to Large Language Models (LLMs) to assist with programming tasks, understanding how these models recommend…

软件工程 · 计算机科学 2025-08-08 Jasmine Latendresse , SayedHassan Khatoonabadi , Emad Shihab