Software developed in the Materials Informatics group at the Max Planck Institute for Sustainable Materials.
| Project | Description | Publication | Coverage | Github Stars |
|---|---|---|---|---|
| pyiron/executorlib (2025) | Up-scale python functions for HPC | Journal of Open Source Software | ||
| pythonworkflow/python-workflow-definition (2025) | Workflow interoperability standard | Digital Discovery | ||
| jan-janssen/LangSim (2025) | LLM Agents for Atomistic Simulation | Machine Learning: Science and Technology | ||
| pyiron/pyiron (2019) | Atomistic development environment | Computational Materials Science |