tag:joss.theoj.org,2005:/papers/tagged/Automation?page=1Journal of Open Source Software2024-03-10T12:27:59ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/50672024-03-10T12:27:59Z2024-03-12T10:21:48ZProject RACCOON: Automated construction of PDB files for polymers and polymer peptide conjugatesacceptedv1.0.12024-01-10 16:52:37 UTC952024-03-10 12:27:59 UTC920246293MoritzL.ObenauerDepartment of Chemistry, Johannes Gutenberg-University Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany0009-0003-8140-9907KaiN.SpauszusDepartment of Chemistry, Johannes Gutenberg-University Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany0009-0006-0650-2273PolBeseniusDepartment of Chemistry, Johannes Gutenberg-University Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany0000-0001-7478-4459FriederikeSchmidInstitute of Physics, Johannes Gutenberg University, Staudingerweg 9, 55128 Mainz, Germany0000-0002-5536-671810.21105/joss.06293https://doi.org/10.5281/zenodo.10776652Jupyter Notebook, Python, Bikeshedhttps://joss.theoj.org/papers/10.21105/joss.06293.pdfcheminformatics, molecular-dynamics-simulatiom, pdb-files, molecular-modelingtag:joss.theoj.org,2005:Paper/51202024-02-27T22:28:57Z2024-03-08T22:12:44ZLobsterPy: A package to automatically analyze LOBSTER runsacceptedv0.3.62024-01-19 14:16:48 UTC942024-02-27 22:28:57 UTC920246286AakashAshokNaikFederal Institute for Materials Research and Testing, Materials Chemistry Department, Berlin, 12205, Germany, Friedrich Schiller University Jena, Institute of Condensed Matter Theory and Solid-State Optics, Jena, 07743, Germany0000-0002-6071-6786KatharinaUeltzenFederal Institute for Materials Research and Testing, Materials Chemistry Department, Berlin, 12205, Germany0009-0003-2967-1182ChristinaErturalFederal Institute for Materials Research and Testing, Materials Chemistry Department, Berlin, 12205, Germany0000-0002-7696-5824AdamJ.JacksonScientific Computing Department, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Didcot, OX11 0QX, UK0000-0001-5272-6530JanineGeorgeFederal Institute for Materials Research and Testing, Materials Chemistry Department, Berlin, 12205, Germany, Friedrich Schiller University Jena, Institute of Condensed Matter Theory and Solid-State Optics, Jena, 07743, Germany0000-0001-8907-033610.21105/joss.06286https://doi.org/10.5281/zenodo.10713348Pythonhttps://joss.theoj.org/papers/10.21105/joss.06286.pdfAutomation, Bonding analysis, Machine learningtag:joss.theoj.org,2005:Paper/45912024-01-28T18:34:03Z2024-01-29T08:05:01Zmatscipy: materials science at the atomic scale with Pythonaccepted0.8.02023-07-10 11:58:56 UTC932024-01-28 18:34:03 UTC920245668PetrGrigorevAix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France0000-0002-6409-9092LucasFrérotDepartment of Microsystems Engineering, University of Freiburg, 79110 Freiburg, Germany0000-0002-4138-1052FraserBirksWarwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom0009-0008-9117-0393AdrienGolaDepartment of Microsystems Engineering, University of Freiburg, 79110 Freiburg, Germany, Institute for Applied Materials, Karlsruhe Institute of Technology, Engelbert-Arnold-Straße 4, 76131 Karlsruhe, Germany0000-0002-5102-1931JacekGolebiowskiDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdom0000-0001-8053-8318JanGrießerDepartment of Microsystems Engineering, University of Freiburg, 79110 Freiburg, Germany0000-0003-2149-6730JohannesL.HörmannDepartment of Microsystems Engineering, University of Freiburg, 79110 Freiburg, Germany, Cluster of Excellence livMatS, Freiburg Center for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany0000-0001-5867-695XAndreasKlemenzFraunhofer IWM, MikroTribologie Centrum µTC, Wöhlerstraße 11, 79108 Freiburg, Germany0000-0001-5677-5639GianpietroMorasFraunhofer IWM, MikroTribologie Centrum µTC, Wöhlerstraße 11, 79108 Freiburg, Germany0000-0002-4623-2881WolframG.NöhringDepartment of Microsystems Engineering, University of Freiburg, 79110 Freiburg, Germany0000-0003-4203-755XJonasA.OldenstaedtDepartment of Microsystems Engineering, University of Freiburg, 79110 Freiburg, Germany0000-0002-7475-3019PunitPatelWarwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United KingdomThomasReichenbachFraunhofer IWM, MikroTribologie Centrum µTC, Wöhlerstraße 11, 79108 Freiburg, Germany0000-0001-7477-6248ThomasRockeWarwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom0000-0002-4612-9112LakshmiShenoyWarwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom0000-0001-5760-3345MichaelWalterCluster of Excellence livMatS, Freiburg Center for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany0000-0001-6679-2491SimonWengertFritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany0000-0002-8008-1482LeiZhangEngineering and Technology Institute Groningen, Faculty of Science and Engineering, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands0000-0003-4414-7111JamesR.KermodeWarwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom0000-0001-6755-6271LarsPastewkaDepartment of Microsystems Engineering, University of Freiburg, 79110 Freiburg, Germany, Cluster of Excellence livMatS, Freiburg Center for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany0000-0001-8351-733610.21105/joss.05668https://doi.org/10.5281/zenodo.10564956C++, C, Meson, Python, Rubyhttps://joss.theoj.org/papers/10.21105/joss.05668.pdfMaterial Science, Atomistic simulationstag:joss.theoj.org,2005:Paper/47132024-01-11T17:22:56Z2024-01-12T00:01:07ZLIBSsa: an open source software for analyzing LIBS spectraacceptedv2.1.02023-08-21 20:15:54 UTC932024-01-11 17:22:56 UTC920245961KleydsonStenioDepartment of Biotechnology, Federal University of São Carlos, São Carlos, SP 13563-905, Brazil, Embrapa Instrumentation, São Carlos, SP 13560-970, Brazil0000-0002-1407-9712DéboraMarcondes Bastos PereiraMiloriEmbrapa Instrumentation, São Carlos, SP 13560-970, Brazil0000-0003-1253-717410.21105/joss.05961https://doi.org/10.5281/zenodo.10447382Pythonhttps://joss.theoj.org/papers/10.21105/joss.05961.pdfLIBS, spectroscopy, modeling, automationtag:joss.theoj.org,2005:Paper/45722024-01-07T20:44:54Z2024-01-08T11:58:28ZinAccessMod: An R package to automate data downloading and processing for AccessModacceptedv1.02023-06-30 11:16:48 UTC932024-01-07 20:44:54 UTC920245879PabloTimonerGeoHealth group, Institute of Global Health, Faculty of Medicine, University of Geneva, Geneva, Switzerland0000-0003-4757-4928FleurHierinkGeoHealth group, Institute of Global Health, Faculty of Medicine, University of Geneva, Geneva, Switzerland0000-0002-2727-0540LoïcBaecherGeoHealth group, Institute of Global Health, Faculty of Medicine, University of Geneva, Geneva, SwitzerlandCarolineFuhrerHealth Resources and Services Availability Monitoring System (HeRAMS) Initiative, World Health Organization Headquarters. Geneva, Switzerland.NicolasRayGeoHealth group, Institute of Global Health, Faculty of Medicine, University of Geneva, Geneva, Switzerland0000-0002-4696-531310.21105/joss.05879https://doi.org/10.5281/zenodo.10466894Rhttps://joss.theoj.org/papers/10.21105/joss.05879.pdfGIS, geographical accessibility, health coveragetag:joss.theoj.org,2005:Paper/46272023-11-11T03:33:46Z2023-11-12T00:00:50ZMAHOS: Measurement Automation Handling and Orchestration Systemacceptedv0.2.22023-07-27 00:47:09 UTC912023-11-11 03:33:46 UTC820235938KosukeTaharaToyota Central R&D Labs., Inc., Japan0000-0002-9474-897010.21105/joss.05938https://doi.org/10.5281/zenodo.10074373Python, C++https://joss.theoj.org/papers/10.21105/joss.05938.pdfinstrumentation, measurement automation, laboratory automation, distributed systems, solid-state color centertag:joss.theoj.org,2005:Paper/43862023-08-10T20:44:28Z2023-08-14T09:04:08ZGMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systemsacceptedv1.0.02023-04-04 20:31:28 UTC882023-08-10 20:44:28 UTC820235476XiangyunLeiToyota Research Institute, Los Altos, CA, United States of America0000-0002-2333-9205JosephMontoyaToyota Research Institute, Los Altos, CA, United States of America0000-0001-5760-286010.21105/joss.05476https://doi.org/10.5281/zenodo.8170029Python, C++, Chttps://joss.theoj.org/papers/10.21105/joss.05476.pdfParallelization, Machine Learning, Chemistry, Molecular Dynamicstag:joss.theoj.org,2005:Paper/41062023-07-15T20:38:04Z2023-07-17T14:50:26ZQuaCa: an open-source library for fast calculations of steady-state quantum frictionacceptedv1.0.02022-12-27 19:34:03 UTC872023-07-15 20:38:04 UTC820235160MartyOelschlägerMax-Born-Institut, 12489 Berlin, Germany, dida Datenschmiede GmbH, Hauptstraße 8, 10827 Berlin, Germany, Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany0000-0002-0120-9733SimonHermannHumboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, GermanyChristophH.EgerlandHumboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany0000-0002-1099-6433DanielReicheHumboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany0000-0002-6788-979410.21105/joss.05160https://doi.org/10.5281/zenodo.8101845C++, Chttps://joss.theoj.org/papers/10.21105/joss.05160.pdffluctuation-induced phenomena, atom-surface interaction, quantum friction, Casimir frictiontag:joss.theoj.org,2005:Paper/42742023-06-01T21:46:48Z2023-06-02T11:36:06Zpypromice: A Python package for processing automated weather station dataacceptedv1.1.02023-03-03 12:17:02 UTC862023-06-01 21:46:48 UTC820235298PenelopeR.HowDepartment of Glaciology and Climate, Geological Survey of Denmark and Greenland (GEUS), Copenhagen, Denmark0000-0002-8088-8497PatrickJ.WrightDepartment of Glaciology and Climate, Geological Survey of Denmark and Greenland (GEUS), Copenhagen, Denmark0000-0003-2999-9076KennethD.MankoffDepartment of Glaciology and Climate, Geological Survey of Denmark and Greenland (GEUS), Copenhagen, Denmark, Autonomic Integra, New York, NY, USA, NASA Goddard Institute for Space Studies, New York, NY, USA0000-0001-5453-2019BaptisteVandecruxDepartment of Glaciology and Climate, Geological Survey of Denmark and Greenland (GEUS), Copenhagen, Denmark0000-0002-4169-8973RobertS.FaustoDepartment of Glaciology and Climate, Geological Survey of Denmark and Greenland (GEUS), Copenhagen, Denmark0000-0003-1317-8185AndreasP.AhlstrømDepartment of Glaciology and Climate, Geological Survey of Denmark and Greenland (GEUS), Copenhagen, Denmark0000-0001-8235-807010.21105/joss.05298https://doi.org/10.22008/FK2/3TSBF0Pythonhttps://joss.theoj.org/papers/10.21105/joss.05298.pdfglaciology, climate, promice, gc-net, geus, greenland, kalaallit-nunaattag:joss.theoj.org,2005:Paper/42882023-05-19T14:59:08Z2023-05-20T00:01:17ZVaMPy: An Automated and Objective Pipeline for Modeling Vascular Geometriesacceptedv1.0.12023-03-08 11:08:28 UTC852023-05-19 14:59:08 UTC820235278HenrikA.KjeldsbergDepartment of Computational Physiology, Simula Research Laboratory, Oslo, Norway0000-0002-7764-4248AslakW.BergersenDepartment of Computational Physiology, Simula Research Laboratory, Oslo, Norway0000-0001-5063-3680KristianValen-SendstadDepartment of Computational Physiology, Simula Research Laboratory, Oslo, Norway0000-0002-2907-017110.21105/joss.05278https://doi.org/10.5281/zenodo.7950605Pythonhttps://joss.theoj.org/papers/10.21105/joss.05278.pdfpre-processing, computational fluid dynamics, post-processing, vascular modeling, automated objective pipeline