SoftwareX最新文献_第9页

FAIR-MAST: A fusion device data management system FAIR-MAST：融合设备数据管理系统

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-09-01 DOI: 10.1016/j.softx.2024.101869

Samuel Jackson , Saiful Khan , Nathan Cummings , James Hodson , Shaun de Witt , Stanislas Pamela , Rob Akers , Jeyan Thiyagalingam , The MAST Team

{"title":"FAIR-MAST: A fusion device data management system","authors":"Samuel Jackson , Saiful Khan , Nathan Cummings , James Hodson , Shaun de Witt , Stanislas Pamela , Rob Akers , Jeyan Thiyagalingam , The MAST Team","doi":"10.1016/j.softx.2024.101869","DOIUrl":"10.1016/j.softx.2024.101869","url":null,"abstract":"<div><p>We are introducing FAIR-MAST, a data management system designed for historical diagnostic data from the Mega Ampere Spherical Tokamak (MAST) fusion experiments. Following the FAIR (findability, accessibility, interoperability, and re-usability) principles, our system aims to address current accessibility issues with data that supports artificial intelligence and machine learning (AI/ML) and advanced data analysis. The system features public APIs with a searchable metadata index and object storage for remote data access. The API integrates a high-performance data analysis stack for scalable data analysis and AI/ML application development. Performance analysis demonstrates a tenfold improvement in data access speed compared to the legacy system, enabling more efficient and comprehensive data exploration. Additionally, our system is designed to be adaptable to other tokamak facilities, such as MAST-Upgrade (MAST-U) and the Joint European Torus (JET), to expedite fusion energy research and promote collaboration.</p></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"27 ","pages":"Article 101869"},"PeriodicalIF":2.4,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2352711024002395/pdfft?md5=b97ccfaee99b49131d0376b806ae8f90&pid=1-s2.0-S2352711024002395-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142122750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

PickShift: A user-friendly Python tool to assess the surficial uncertainties associated with polygons extracted from historical planimetric data PickShift：一种用户友好型 Python 工具，用于评估与从历史平面测量数据中提取的多边形相关的地表不确定性

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-09-01 DOI: 10.1016/j.softx.2024.101866

Timothée Jautzy , Pierrick Freys , Valentin Chardon , Romain Wenger , Gilles Rixhon , Laurent Schmitt , Pierre-Alexis Herrault

引用次数: 0

PyGeoweaver: Tangible workflow tool for enhancing scientific research productivity and FAIRness PyGeoweaver：有形的工作流程工具，用于提高科研生产力和公平性

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-09-01 DOI: 10.1016/j.softx.2024.101863

Gokul Prathin, Ziheng Sun, Sanjana Achan

{"title":"PyGeoweaver: Tangible workflow tool for enhancing scientific research productivity and FAIRness","authors":"Gokul Prathin, Ziheng Sun, Sanjana Achan","doi":"10.1016/j.softx.2024.101863","DOIUrl":"10.1016/j.softx.2024.101863","url":null,"abstract":"<div><p>Scientific research faces workflow inefficiencies and reproducibility issues. PyGeoweaver, a Python library, helps manage data pipelines to address these problems. It stands out for its accessibility and ease of use, making it ideal for individual researchers and small teams. Unlike traditional systems that demand extensive technical expertise, it is designed to be beginner-friendly, allowing anyone to work with it without encountering significant technical hurdles. It can help researchers intuitively design workflows, retrieve data, and analyse it efficiently. It also offers compelling benefits for AI use cases, enabling researchers to develop and deploy AI models with ease. Serving as a decentralised hub for workflow management, it ensures discoverability, accessibility, and reusability of scientific workflows, fostering collaboration and research reproducibility. The paper will introduce its technical framework, present successful applications, and share insights from user feedback. Based on our research experiences in the past two years, PyGeoweaver has proven to be a valuable tool, enabling researchers to attain significant research progress with minimal technical complexities.</p></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"27 ","pages":"Article 101863"},"PeriodicalIF":2.4,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2352711024002334/pdfft?md5=978358f11fdf3f15caac910e16a9335e&pid=1-s2.0-S2352711024002334-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142136679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

twowaytests: An R package for two-way tests in independent groups designs twowaytests：用于独立分组设计中双向检验的 R 软件包

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-09-01 DOI: 10.1016/j.softx.2024.101862

Osman Dag , Merve Kasikci , Muhammed Ali Yilmaz , Samaradasa Weerahandi , Malwane M.A. Ananda

引用次数: 0

CoCoStyle: Mixed initiative co-creative system to support creative process of fashion design CoCoStyle：支持时装设计创意过程的混合倡议共同创意系统

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-09-01 DOI: 10.1016/j.softx.2024.101857

Myungjin Kim, Misun Joo, Kyungsik Han

{"title":"CoCoStyle: Mixed initiative co-creative system to support creative process of fashion design","authors":"Myungjin Kim, Misun Joo, Kyungsik Han","doi":"10.1016/j.softx.2024.101857","DOIUrl":"10.1016/j.softx.2024.101857","url":null,"abstract":"<div><p>Due to the rapid development of AI, research on creativity support tools that allow humans to foster creativity through collaboration with AI is actively progressing. The concept of an AI-based mixed initiative co-creative system (AI-MICCS), which gives the user the initiative, has emerged. Our research focuses on the fashion domain, where creativity plays an important role, and we present <em>CoCoStyle</em>, an AI-MICCS that can support the creativity of fashion designers. <em>CoCoStyle</em> has three main phases (<em>CoResearch</em>, <em>CoDesign</em>, and <em>CoImprovement</em>) and six sub-phases (<em>Build, Pick, Create, Switch, View</em> and <em>Fit</em>). Fashion Designers can efficiently group a large number of desired images using the attribute detection model and <span><math><mi>k</mi></math></span>-means algorithm, create unique designs using StyleGAN2, and improve designs from various perspectives using transformer embedding and attribute detection results. We believe that <em>CoCoStyle</em> will effectively support fashion designers in their creative design process by allowing users to take the initiative in controlling the AI.</p></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"27 ","pages":"Article 101857"},"PeriodicalIF":2.4,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2352711024002279/pdfft?md5=134a35bf3f58a462877315878c9f4147&pid=1-s2.0-S2352711024002279-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142095811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Chaak: Urban Hydrological Impact modeling Chaak：城市水文影响建模

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-08-26 DOI: 10.1016/j.softx.2024.101859

J.M. Becerril-Lara, H. Salinas-Tapia, C. Díaz-Delgado, D. García-Pulido, A.L. Alvarez-Mejía

引用次数: 0

Yekta: A low-code framework for automated test models generation Yekta：自动生成测试模型的低代码框架

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-08-26 DOI: 10.1016/j.softx.2024.101850

Meysam Karimi , Shekoufeh Kolahdouz-Rahimi , Javier Troya

引用次数: 0

clickR: Semi-automatic pre-processing of messy data with change tracking for integral dataset cleaning clickR：利用变化跟踪对杂乱数据进行半自动预处理，实现数据集整体清理

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-08-26 DOI: 10.1016/j.softx.2024.101865

David Hervas , David Fuente

引用次数: 0

landusemix: A Python package for calculating land use mix landusemix：用于计算土地利用组合的 Python 软件包

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-08-26 DOI: 10.1016/j.softx.2024.101861

Mehmet Ali Akyol , Sebnem Duzgun , Nazife Baykal

引用次数: 0

AutoChem: A comprehensive tool for reaction prediction, network generation, and free energy calculation in chemistry AutoChem：用于化学反应预测、网络生成和自由能计算的综合工具

IF 2.4 4区计算机科学

SoftwareX Pub Date : 2024-08-24 DOI: 10.1016/j.softx.2024.101851

Dhanalakshmi Vadivel, Daniele Dondi

{"title":"AutoChem: A comprehensive tool for reaction prediction, network generation, and free energy calculation in chemistry","authors":"Dhanalakshmi Vadivel, Daniele Dondi","doi":"10.1016/j.softx.2024.101851","DOIUrl":"10.1016/j.softx.2024.101851","url":null,"abstract":"<div><p>AutoChem is a software package consisting of two modules. The first module is a virtual chemical reactor that can generate reaction products starting from inserted reactants and reactions. The process can be iterated, calculating reactions of the products obtained from the previous steps. To avoid a combinatorial explosion of products, constraints can be inserted. AutoChem module can generate 3D structures of the products obtained as well as a list of all the reactions occurred (chemical network).</p><p>This can be useful for the calculation of reaction free energies by using computational chemistry programs like Gaussian and ORCA. Usually, the computational step involves the geometry optimization of all products followed by the calculation of vibrational frequencies of the optimized structures, to assess if a local minimum is reached. Finally, when products free energies are obtained, the calculation of the reactions free energies can be done.</p><p>The second module of Autochem, called <em>check</em>, helps to perform the latter step, launching the jobs, collecting products free energies, restarting false minima and calculating the reactions free energies. This module is intended as a general use even outside AutoChem and might be used to perform a large number of free energy calculations with a little effort from the user. This permits to have results at the level of theory needed. AutoChem might also be used for teaching organic chemistry and basic cheminformatics dealing with SMILES and SMARTS by inserting reactants and reactions and analyzing the products obtained.</p></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"27 ","pages":"Article 101851"},"PeriodicalIF":2.4,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S235271102400222X/pdfft?md5=82c9fd2de77d10b65f6acfc13f931d27&pid=1-s2.0-S235271102400222X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142047868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0