SoftwareXPub Date : 2026-02-01Epub Date: 2026-02-02DOI: 10.1016/j.softx.2026.102524
Zijian Meng , Karim Zongo , Edmanuel Torres , Christopher Maxwell , Ryan Grant , Laurent Karim Béland
{"title":"A Kokkos-accelerated Moment Tensor Potential implementation for LAMMPS","authors":"Zijian Meng , Karim Zongo , Edmanuel Torres , Christopher Maxwell , Ryan Grant , Laurent Karim Béland","doi":"10.1016/j.softx.2026.102524","DOIUrl":"10.1016/j.softx.2026.102524","url":null,"abstract":"<div><div>We present a Kokkos-accelerated implementation of the Moment Tensor Potential (MTP) for LAMMPS, designed to improve both computational performance and portability across CPUs and GPUs. This package introduces an optimized CPU variant—achieving up to 2<span><math><mo>×</mo></math></span> speedups over existing implementations—and two new GPU variants: a thread-parallel version for large-scale simulations and a block-parallel version optimized for smaller systems. It supports three core functionalities: standard inference, configuration-mode active learning, and neighborhood-mode active learning. Benchmarks and case studies demonstrate efficient scaling to million-atom systems, substantially extending accessible length and time scales while preserving the MTP’s near-quantum accuracy and native support for uncertainty quantification.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102524"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146187959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2025-12-03DOI: 10.1016/j.softx.2025.102457
Carlos Sandoval Olascoaga , Nicholas de Monchaux
{"title":"Local software: Integrated design and geo-computing workflows for urban design","authors":"Carlos Sandoval Olascoaga , Nicholas de Monchaux","doi":"10.1016/j.softx.2025.102457","DOIUrl":"10.1016/j.softx.2025.102457","url":null,"abstract":"<div><div>While architects and planners routinely rely on Geospatial Information Systems (GIS) and Computer Aided Design (CAD) tools, both types of tools are infrastructurally incompatible leading to cumbersome workarounds, lack of adoption in practice, and missed opportunities to incorporate the large-scale geographic insights of GIS with the building-scale precision of CAD into a seamless design process. Local Software (LS) inquires into how bringing together CAD and GIS tools and workflows can lead to more sustainable urban design proposals. The framework introduces Site Packages (SP), a cross-platform information model based on GeoJSON that enables seamless integration between design and analysis tools and a new design methodology that connects large scale modeling with small scale design decisions. LS provides a web interface and open-source plugins for Grasshopper and QGIS, that allow designers to parametrically generate networked urban interventions while evaluating their ecological and social impacts through GIS. Case studies have demonstrated that proposals created with the LS framework can replace 88–96 % of traditional stormwater systems at 50 % lower cost of underground work, while enhancing urban resilience, reducing heat island effects, and providing community benefits.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102457"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2025-12-05DOI: 10.1016/j.softx.2025.102463
Damian Frąszczak, Edyta Frąszczak
{"title":"PhishingWebCollector: Async python library for automated phishing feed collection","authors":"Damian Frąszczak, Edyta Frąszczak","doi":"10.1016/j.softx.2025.102463","DOIUrl":"10.1016/j.softx.2025.102463","url":null,"abstract":"<div><div>Website phishing represents a significant cyber threat, where attackers create fraudulent websites that imitate legitimate sites to deceive users. Continuous monitoring and detection of malicious websites are crucial for mitigating this threat. This paper introduces PhishingWebCollector, an open-source Python library designed to simplify the collection and integration of phishing feeds. It is an appropriate tool for real-time blacklist updates, creating historical datasets for research, and serving as a foundation for developing AI-based phishing detection systems. Identifying phishing and spoofed websites helps generate high-quality datasets necessary for training models in automated website classification and threat identification. Leveraging Python’s asyncio, it processes multiple feeds concurrently to achieve optimal performance. Available on PyPI with extensive documentation and examples, PhishingWebCollector offers a resource-efficient solution for cybersecurity professionals and researchers.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102463"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2026-01-23DOI: 10.1016/j.softx.2026.102528
Vadym Chibrikov, Justyna Cybulska, Artur Zdunek
{"title":"FibreApp: Mobile machine learning tool for fruit and vegetable fiber content","authors":"Vadym Chibrikov, Justyna Cybulska, Artur Zdunek","doi":"10.1016/j.softx.2026.102528","DOIUrl":"10.1016/j.softx.2026.102528","url":null,"abstract":"<div><div>The issue of food quality and its control has become a daily routine for humanity, driven by both health and economic reasons. Among other components, plant cell wall components—such as cellulose, hemicellulose, and pectin—have several pro-health roles in the human organism that are barely discussed in public. To address this, there is a clear need for a portable digital framework built on accurate, accessible, and scientifically-proven data. Here, our commitment was the development of <em>FibreApp</em>, an Android/iOS mobile application that helps users obtain data on the chemical composition of common fruit and vegetable species available on the European market. <em>FibreApp</em>'s architecture was designed as a hybrid local/offline system that integrates on-device machine learning for visual identification with a pre-loaded, unified database of fruit and vegetable compositional parameters. A machine learning-powered livestream tool for image classification of fruits and vegetables was included in the app by rigorously following a systematic image acquisition protocol, coupled with a transfer learning approach using pre-trained feature extractors to train the machine learning models. The latter performed well despite significant changes in lighting and diverse polar orientations, as well as during polyclass image classification. <em>FibreApp</em> was released and field-tested, positioning it to capture a niche in improving public awareness of fruits and vegetables as a source of functional polysaccharides.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102528"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2026-01-29DOI: 10.1016/j.softx.2026.102537
Robby Ulung Pambudi, Ary Mazharuddin Shiddiqi, Royyana Muslim Ijtihadie, Muhammad Nabil Akhtar Raya Amoriza, Hardy Tee, Fadhl Akmal Madany, Rizky Januar Akbar, Dini Adni Navastara
{"title":"DiLLeMa: An extensible and scalable framework for distributed large language models (LLMs) inference on multi-GPU clusters","authors":"Robby Ulung Pambudi, Ary Mazharuddin Shiddiqi, Royyana Muslim Ijtihadie, Muhammad Nabil Akhtar Raya Amoriza, Hardy Tee, Fadhl Akmal Madany, Rizky Januar Akbar, Dini Adni Navastara","doi":"10.1016/j.softx.2026.102537","DOIUrl":"10.1016/j.softx.2026.102537","url":null,"abstract":"<div><div>The increasing demand for scalable and responsive Large Language Model (LLM) applications has accelerated the need for distributed inference systems capable of handling high concurrency and heterogeneous GPU resources. This paper introduces DiLLeMa, an extensible framework for distributed LLM deployment on multi-GPU clusters, designed to improve inference efficiency through workload parallelization and adaptive resource management. Built upon the Ray distributed computing framework, DiLLeMa orchestrates LLM inference across multiple nodes while maintaining balanced GPU utilization and low-latency response. The system integrates a <em>FastAPI</em>-based backend for coordination and API management, a <em>React</em>-based frontend for interactive access, and a vLLM inference engine optimized for high-throughput execution. Complementary modules for data preprocessing, semantic embedding, and vector-based retrieval further enhance contextual relevance during response generation. Illustrative examples demonstrate that DiLLeMa effectively reduces inference latency and scales efficiently.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102537"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077489","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2026-01-07DOI: 10.1016/j.softx.2025.102505
M. Yochum , F. Karimi , F. Wendling, M. Al Harrach
{"title":"Version [2.0]-[NeoCoMM: Neocortical neuro-inspired computational model for realistic microscale simulations]","authors":"M. Yochum , F. Karimi , F. Wendling, M. Al Harrach","doi":"10.1016/j.softx.2025.102505","DOIUrl":"10.1016/j.softx.2025.102505","url":null,"abstract":"<div><div>In this new version of the NeoCoMM (Neocortical Computational Microscale Model) software, we present an updated neuroinspired computational model of the cortical column that includes neuroplasticity and a transcranial Electric Stimulation (tES) modeling platform. The neuroplasticity update consists of three types of long- term plasticity models based on the calcium dynamics that are incorporated into the principal cells (PCs) of the network. For tES, a new panel in the GUI was added to simulate the electric field parameters allowing the user to simulate the impact of both Direct (tDCS) and Alternating (tACS) Current Stimulation on the network dynamics.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102505"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145925768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2025-12-17DOI: 10.1016/j.softx.2025.102484
Saad Noufel, Nadir Maaroufi, Mehdi Najib, Mohamed Bakhouya
{"title":"HySim-IRIS: Hybrid similarity interactive restoration and inpainting suite","authors":"Saad Noufel, Nadir Maaroufi, Mehdi Najib, Mohamed Bakhouya","doi":"10.1016/j.softx.2025.102484","DOIUrl":"10.1016/j.softx.2025.102484","url":null,"abstract":"<div><div>Image inpainting, the process of reconstructing missing or damaged regions in images, remains a critical challenge in computer vision with applications spanning medical imaging, remote sensing, and digital heritage preservation. While data-driven approaches dominate current research, model-driven methods retain significant value in scenarios with limited training data or specialized domain requirements. This paper presents HySim-IRIS, a hybrid similarity interactive restoration and inpainting suite, as a comprehensive GUI-based image inpainting application. The software features a novel hybrid similarity measure combining Chebyshev and Minkowski distances for patch-based inpainting, alongside a modern Qt-based interface with built-in mask editing tools, exhaustive parameter search capabilities, and comprehensive performance analytics. The application provides both CPU and GPU-accelerated implementations, with the latter achieving up to 20<span><math><mo>×</mo></math></span> speedup for high-resolution images.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102484"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2025-12-09DOI: 10.1016/j.softx.2025.102473
José Hugo Barrón-Zambrano , Marco Aurelio Nuño-Maganda , Melchor Hernández-Díaz , José de Jesús Rangel-Magdaleno , Yahir Hernández-Mier
{"title":"Mobile2D-3D-RoboticSim: A robotic platform for computational thinking assessment in STEM and STEAM education","authors":"José Hugo Barrón-Zambrano , Marco Aurelio Nuño-Maganda , Melchor Hernández-Díaz , José de Jesús Rangel-Magdaleno , Yahir Hernández-Mier","doi":"10.1016/j.softx.2025.102473","DOIUrl":"10.1016/j.softx.2025.102473","url":null,"abstract":"<div><div>Education in Science, Technology, Engineering, Arts, and Mathematics (STEAM) is crucial for developing essential skills in today’s society. A key issue for researchers in the Education and Behavioral Sciences (EBS) fields is to assess the evolution of Computational Thinking (CT) in learners through the use of educational robotics, which is a powerful tool that enhances learning by allowing students to apply theoretical knowledge to real-world scenarios. In this article, we propose a 2D-3D virtual and physical robotic platform for STEM/STEAM education, enabling users to interact with a low-cost line-following educational robotic platform, equipped with an onboard computer, sensors, and actuators. The platform is user-programmable and integrates the ROS operating system to define the robot’s movement and path, as well as to visualize the robot’s movement in real-time. The platform is also accessible to educators and the general public for exploratory and pedagogical use. We report results related to the application of the competent Computational Thinking Test (cCTt) instrument to a small group of students, which may be of particular relevance to the Education and Behavioral Sciences (EBS) community for validating the acquisition of CT skills through the proposed platform for larger learner groups.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102473"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2026-02-05DOI: 10.1016/j.softx.2026.102551
Marta Muñoz-Muñoz, Christian Luna, Juan A. Lara, C Romero
{"title":"Dropout insight: Educational risk dashboard with counterfactual explanations","authors":"Marta Muñoz-Muñoz, Christian Luna, Juan A. Lara, C Romero","doi":"10.1016/j.softx.2026.102551","DOIUrl":"10.1016/j.softx.2026.102551","url":null,"abstract":"<div><div>The prediction and prevention of students at risk of dropout are two of the most important challenges in the educational domain. Although some commercial predictive tools support at-risk estimation and provide explanations of the associated factors, none of them offer recommendations to address or reverse potential dropout cases. This paper proposes Dropout Insight as a prescriptive web-based interactive tool that automates the entire data-mining process to suggest specific decisions. It supports the loading and processing of student data, the selection of the best predictive model, and the visualization of results through interpretation techniques based on explainers. The tool provides a clear and visually intuitive interface that enables users to explore risk factors and simulate alternative scenarios, including instructors and other stakeholders, without prior knowledge of data mining. It offers not only traditional individual counterfactual explanations, but also novel group counterfactuals, which generate hypothetical clusters or groups of students with similar behavioral profiles. These groups help recover the largest possible number of at-risk students with less effort and cost by offering a single, shared recommendation for intervention. By integrating automated prediction tools with visual, explainable artificial intelligence methods and counterfactual reasoning, the tool becomes a highly valuable and innovative resource to support pedagogical decision-making and guide proactive educational policies aimed at preventing dropout.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102551"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146187366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
SoftwareXPub Date : 2026-02-01Epub Date: 2026-01-06DOI: 10.1016/j.softx.2025.102495
Majid Mohammadhosseinzadeh, Hossein Ghorbani-Menghari, Ji Hoon Kim
{"title":"PyCompact: An integrated workflow for discrete element method–multi-particle finite element method for powder compaction simulation","authors":"Majid Mohammadhosseinzadeh, Hossein Ghorbani-Menghari, Ji Hoon Kim","doi":"10.1016/j.softx.2025.102495","DOIUrl":"10.1016/j.softx.2025.102495","url":null,"abstract":"<div><div>This study introduces an integrated workflow for simulating powder compaction through a hybrid discrete element method (DEM) and multi-particle finite element method (MPFEM) approach. PyCompact, by integrating FreeCAD, LIGGGHTS, ParaView, LS-PrePost, and OpenRadioss with two in-house Python scripts for automated data translation and mesh generation, the framework covers the full simulation cycle: geometric modelling, particle generation, finite element meshing, compaction analysis, and visualization. The workflow was validated using experimental data from two Fe-Si-Al-P powders with distinct particle size distributions. Results demonstrated a maximum relative density deviation of only 2.5 % compared to experiments, matching ABAQUS predictions. This work introduces the first validated DEM-MPFEM framework that eliminates licensing barriers for the core simulation steps, enhances reproducibility, and adapts to various powder compaction applications in academic and industrial settings.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"33 ","pages":"Article 102495"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145925733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}