We develop software to support the FAIR principles in the field of condensed-matter physics, the chemical physics of solids and materials science in general. FAIR refers to a set of guiding principles to make data Findable, Accessible, Interoperable, and Reusable. The FAIRmat consortium is part of the National Research Data Infrastructure (NFDI) and is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation | project 460197019).
| FAIRmat | NOMAD 🏜️ | NOMAD Oasis 🌴 | NOMAD CAMELS 🐪 |
|---|---|---|---|
| 🌐 📰 | 🌐 💻 📚 📰 | 🌐 📚 | 🌐 💻 📚 📰 |
| The NFDI consortium. | The main software. | Your local resource. | Control your lab instruments. |
A collection of repositories that are part of the FAIRmat consortium.
This is the main software that powers the infrastructure and our central deployment. It's a platform for sharing, storing, and analyzing materials data. You can install your own NOMAD Oasis 🌴 and customize it to meet your needs, including features to define your ELNs, custom schemas, parsers, and cloud-based analysis tools (NORTH).
| Repository | Description | Docs | Publications |
|---|---|---|---|
| nomad | The main NOMAD repository. | 📚 | 📰 |
A collection of plugins for computational data. These plugins contain schemas and parsers for computational data. Note: the current schema and parser structure is being refactored and we have two versions currently living in our repositories: the new plugins and the legacy plugins. Check out the full list of supported codes.
| Repository | Description | Docs | PyPI |
|---|---|---|---|
| nomad-simulations | A NOMAD plugin containing base sections for simulations. | 📚 | 📦 |
| nomad-schema-plugin-simulation-workflow | A collection of schemas for various types of simulation workflows. |
Parser plugins
| Repository | Description | Docs |
|---|---|---|
| nomad-parser-vasp | NOMAD parser plugin for VASP input/output files. | |
| nomad-parser-fhiaims | NOMAD parser plugin for FHI-aims input/output files. | |
| nomad-parser-wannier90 | NOMAD parser plugin for Wannier90 input/output files. | |
| nomad-parser-yambo | NOMAD parser plugin for YAMBO input/output files. | |
| nomad-parser-w2dynamics | NOMAD parser plugin for w2dynamics input/output files. |
| Repository | Description | Docs |
|---|---|---|
| nomad-schema-plugin-run | Schema definition for run section in NOMAD. | |
| nomad-schema-plugin-simulation-workflow | A collection of schemas for various types of simulation workflows. |
Parser plugins
| Repository | Description | Docs |
|---|---|---|
| electronic-parsers | A collection of the NOMAD parsers for (~40) electronic codes. | 📚 |
| atomistic-parsers | A collection of NOMAD parsers for atomistic codes (GROMACS, LAMMPS, ...). | 📚 |
| workflow-parsers | A collection of NOMAD parsers for codes with computational workflows (FHI-vibes, LOBSTER, QuantumEspresso Family, ...). | 📚 |
A collection of plugins for experimental data, including material processing and measurements. These plugins contain schemas, ELNs and parsers for experimental data.
| Repository | Description | Docs | PyPI |
|---|---|---|---|
| nomad-materials-processing | A NOMAD plugin with base sections for material processing. | 📚 | 📦 |
| nomad-measurements | A NOMAD plugin containing base sections for measurements. | 📚 | 📦 |
We extend the NeXus format to support the FAIR principles. This is a collection of repositories that are part of the FAIRmat consortium to support the NeXus format.
| Repository | Description | Docs | PyPI |
|---|---|---|---|
| pynxtools | Tool to develop ontologies and to create ontological instances based on the NeXus format. | 📚 | 📦 |
| nyaml | A tool for converting NeXus application definitions from YAML (nyaml) to the Nexus Definitions Language (nxdl) format and vice-versa. | 📚 | 📦 |
| nexus-definitions | NeXus definitions including all the current FAIRmat contributions. | 📚 |
Reader plugins for pynxtools
There are a number of plugins available for pynxtools. These are extensions of pynxtools used for reading data of specific experimental techniques.
| Repository | Description | Docs | PyPI |
|---|---|---|---|
| pynxtools-apm | pynxtools reader plugin for atom probe microscopy (APM) as well as related field ion microscopy (FIM) data. | 📚 | 📦 |
| pynxtools-ellips | pynxtools reader plugin for ellipsometry data. | 📚 | 📦 |
| pynxtools-em | pynxtools reader plugin for electron microscopy (EM) data from various vendors/sources. | 📚 | 📦 |
| pynxtools-mpes | pynxtools reader plugin for multi-dimensional photoelectron spectroscopy (MPES) data. | 📦 | |
| pynxtools-raman | pynxtools reader plugin for Raman data. | 📦 | |
| pynxtools-stm | pynxtools reader plugin for scanning tunneling microscopy (SPM) and spectroscopy (STS) data. | 📚 | 📦 |
| pynxtools-xps | pynxtools reader plugin for X-ray photoelectron spectroscopy (XPS) data from various vendors/sources. | 📚 | 📦 |
| pynxtools-xrd | pynxtools reader plugin for X-ray diffraction data. | 📦 |