The signac data and workflow management framework

I am the inventor and former lead developer of the NumFOCUS affiliated data management framework software signac. The signac framework supports researchers in managing project-related data by providing a well-defined, indexable layout for storing file-based data and metadata directly on the filesystem. In this way, signac enables efficient data access through an ad hoc database-like interface without the need for running a server.

The distributed file-based storage model is well-suited to high-performance computing applications. Additionally, signac aids in defining and executing workflows for operating on these managed data spaces both on local workstations and on leadership-class supercomputers.

For more information, please visit the website or the comprehensive documentation.

The AiiDAlab web platform

AiiDAlab provides a managed computational environment targeted at – but not limited to – non-experts.

I am the lead developer for the AiiDAlab simulation-as-a-service web platform that provides a managed environment to run AiiDA-driven computational workflows. Based on Jupyter it allows computational scientists to develop and distribute customizable web applications that enable non-experts to run simple to complex simulation work directly in the browser. The platform can be integrated into a larger scientific computing and lab infrastructure by providing pre-configured connections to high-performance compute resources and electronic lab notebook (ELN) services.

Fore more information, please visit the website or the documentation.

Other

I have contributed to HOOMD-blue, freud, and many other open-source software packages.