This GitHub organization hosts software developed by the nanotech@surfaces laboratory at Empa and its collaborators. It brings together tools for computational materials research, scanning probe microscopy, experimental data analysis, and scientific data management.
The repositories include AiiDA plugins and workflows, AiiDAlab applications, post-processing and visualization libraries, infrastructure configuration, and research and teaching examples.
We plan to make the organization easier to navigate by introducing a consistent classification and a categorized repository directory on this homepage.
| Category | Contents |
|---|---|
| AiiDA plugins and workflows | Calculation plugins, parsers, and automated scientific workflows |
| AiiDAlab applications | Scientific apps, graphical interfaces, widgets, and property plugins |
| Post-processing and visualization | Analysis libraries, microscopy simulation tools, and plotting utilities |
| Infrastructure and deployment | HPC configuration, containers, and environment setup |
| Experimental tools and data management | Measurement analysis, instrument utilities, and data management integrations |
| Teaching and research examples | Tutorials, example notebooks, and code accompanying publications |
- Review the repositories with their maintainers and agree on the categories.
- Add consistent GitHub topics, such as
aiida,aiidalab,post-processing,visualization, andhpc. Use multiple topics where categories overlap. - Add repository links and short descriptions under the categories on this homepage.
- Document maintainers and maintenance status (active, experimental, or legacy) separately from scientific purpose.
- Pin the main entry-point repositories for new users and collaborators.
- Evaluate organization custom properties for structured category and maintenance-status filters.
For new repositories, include a clear description and relevant topics, and add a link to the directory once it is available.
See the licensing, software attribution and scientific credit guide for preserving each project's notices and contributor credits, and for choosing scientific citations according to the software actually used. Each repository's own licence and citation metadata remain authoritative.
