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signac: A Python framework for data and workflow management
6 references·4 citing·31 second hop
signac: A Python framework for data and workflow management (2018)signac: A Python framework for data and w…Simple data and workflow management with the signac framework (2018)Simple data and workflow mana…The Sacred Infrastructure for Computational Research (2017)The Sacred Infrastructure for…Jupyter Notebooks – a publishing format for reproducible computational workflows (2016)Jupyter Notebooks – a publish…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 …Automated Capture of Experiment Context for Easier Reproducibility in Computational Research (2012)Automated Capture of Experime…Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF) (2025)Achieving Reproducibility and…Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations (2024)Martignac: Computational Work…MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software (2021)MoSDeF Cassandra: A complete …How to Professionally Develop Reusable Scientific Software—And When Not To (2018)How to Professionally Develop…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)pyiron: An integrated development environment for computational materials science (2019)AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance (2020)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)Replicability is not Reproducibility:Nor is it Good Science (2009)ReproZip: using provenance to support computational reproducibility (2013)Omics Pipe: a community-based framework for reproducible multi-omics data analysis (2015)YesWorkflow: A User-Oriented, Language-Independent Tool for Recovering Workflow Information from Scripts (2015)Design Patterns: Elements of Reusable Object-Oriented Software (1994)Practical Bayesian Optimization of Machine Learning Algorithms (2012)Taking the Human Out of the Loop: A Review of Bayesian Optimization (2015)DeepDIVA: A Highly-Functional Python Framework for Reproducible Experiments (2018)Provenance Analysis for Missing Answers and Integrity Repairs. (2018)Neuroscience Cloud Analysis As a Service: An open-source platform for scalable, reproducible data analysis (2022)Best Practices for Scientific Computing (2014)Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows (2020)BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows (2019)1,500 scientists lift the lid on reproducibility (2016)Making replication mainstream (2017)Artificial intelligence faces reproducibility crisis (2018)Open science challenges, benefits and tips in early career and beyond (2019)The Galaxy platform for accessible, reproducible and collaborative biomedical analyses: 2020 update (2020)NeuroKit2: A Python toolbox for neurophysiological signal processing (2021)Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE) (2020)Like a rainbow in the dark: metadata annotation for HPC applications in the age of dark data (2021)
this work references cited by second hop

References

  • 2016Jupyter Notebooks – a publishing format for reproducible computational workflows3,069 cited
  • 2015AiiDA: automated interactive infrastructure and database for computational science602 cited
  • 2015FireWorks: a dynamic workflow system designed for high‐throughput applications548 cited
  • 2018Simple data and workflow management with the signac framework150 cited
  • 2012Automated Capture of Experiment Context for Easier Reproducibility in Computational Research105 cited
  • 2017The Sacred Infrastructure for Computational Research63 cited

Cited by

  • 2018How to Professionally Develop Reusable Scientific Software—And When Not To18 cited
  • 2025Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF)16 cited
  • 2021MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software11 cited
  • 2024Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations8 cited

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