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SimStack: An Intuitive Workflow Framework
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SimStack: An Intuitive Workflow Framework (2022)SimStack: An Intuitive Workflow FrameworkWorkflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows (2020)Workflows in AiiDA: Engineeri…Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE) (2020)Towards molecular simulations…AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance (2020)AiiDA 1.0, a scalable computa…pyiron: An integrated development environment for computational materials science (2019)pyiron: An integrated develop…1,500 scientists lift the lid on reproducibility (2016)1,500 scientists lift the lid…FireWorks: a dynamic workflow system designed for high‐throughput applications (2015)FireWorks: a dynamic workflow…AiiDA: automated interactive infrastructure and database for computational science (2015)AiiDA: automated interactive …Scientific workflow systems: Pipeline Pilot and KNIME (2012)Scientific workflow systems: …Drivers and barriers of extended supply chain practices for energy saving and emission reduction among Chinese manufacturers (2010)Drivers and barriers of exten…KNIME: The Konstanz Information Miner (2008)KNIME: The Konstanz Informati…MDCrow: automating molecular dynamics workflows with large language models (2026)MDCrow: automating molecular …Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative (2025)Advancing Digital Transformat…An Automatized Simulation Workflow for Powder Pressing Simulations Using SimStack (2024)An Automatized Simulation Wor…Taverna: a tool for the composition and enactment of bioinformatics workflows (2004)Scientific workflow management and the Kepler system (2005)Galaxy: a comprehensive approach for supporting accessible, reproducible, and transparent computational research in the life sciences (2010)An object-oriented scripting interface to a legacy electronic structure code (2002)The Open Provenance Model core specification (v1.1) (2010)The Taverna workflow suite: designing and executing workflows of Web Services on the desktop, web or in the cloud (2013)Materials Cloud, a platform for open computational science (2020)Materials Cloud, a platform for open computational science (2020)The Iron Cage Revisited: Institutional Isomorphism and Collective Rationality in Organizational Fields (1983)The Iron Caged Revisited : Institutional Isomorphism and Collective Rationality in Organizational Fields (1983)The iron cage revisited institutional isomorphism and collective rationality in organizational fields (2004)Integration of AHP-TOPSIS method for prioritizing the solutions of reverse logistics adoption to overcome its barriers under fuzzy environment (2015)Eco-innovation in the transition to a circular economy: An analytical literature review (2017)Drivers and barriers to circular economy implementation (2019)Growth in a Time of Debt (2010)Does high public debt consistently stifle economic growth? A critique of Reinhart and Rogoff (2013)MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software (2021)Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations (2024)Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF) (2025)Reproducible Research in Computational Science (2011)A dynamic knowledge graph approach to distributed self-driving laboratories (2024)Scientific workflows for bibliometrics (2016)Reproducible, scalable, and shareable analysis pipelines with bioinformatics workflow managers (2021)Sustainable data analysis with Snakemake (2021)KNIME an Open Source Solution for Predictive Analytics in the Geosciences [Software and Data Sets] (2015)Integration and Visualization of Translational Medicine Data for Better Understanding of Human Diseases (2016)Improving data workflow systems with cloud services and use of open data for bioinformatics research (2017)A manifesto for reproducible science (2017)Bioconda: sustainable and comprehensive software distribution for the life sciences (2018)The nf-core framework for community-curated bioinformatics pipelines (2020)Coding Non-Visually in Visual Studio Code: Collaboration Towards Accessible Development Environment for Blind Programmers (2023)Validity constraints for data analysis workflows (2024)Brokering between tenants for an international materials acceleration platform (2023)PerQueue: managing complex and dynamic workflows (2024)
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References

  • 20161,500 scientists lift the lid on reproducibility4,200 cited
  • 2008KNIME: The Konstanz Information Miner1,401 cited
  • 2015AiiDA: automated interactive infrastructure and database for computational science602 cited
  • 2015FireWorks: a dynamic workflow system designed for high‐throughput applications548 cited
  • 2010Drivers and barriers of extended supply chain practices for energy saving and emission reduction among Chinese manufacturers463 cited
  • 2020AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance345 cited
  • 2012Scientific workflow systems: Pipeline Pilot and KNIME184 cited
  • 2020Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows166 cited
  • 2019pyiron: An integrated development environment for computational materials science155 cited
  • 2020Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE)58 cited

Cited by

  • 2026MDCrow: automating molecular dynamics workflows with large language models25 cited
  • 2025Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative19 cited
  • 2024An Automatized Simulation Workflow for Powder Pressing Simulations Using SimStack8 cited

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