nomad-fsspec

An fsspec filesystem for the public raw data of NOMAD, the materials science repository. It is read-only.

import fsspec

fs = fsspec.filesystem("nomad")  # https://nomad-lab.eu/prod/v1 by default
fs.ls("/")  # public datasets
fs.ls("/wWgAnNZNQxOHLf97H62dgw")  # the uploads of one dataset
fs.get_file(
    "/wWgAnNZNQxOHLf97H62dgw/Xa2LB__ESiKu-odRBPJhjA/nomad-demo-data/BrK_svSe/TBCC006.ABC/vasprun.xml.relax2",
    "vasprun.xml",
)

Paths are /<dataset id>/<upload id>/<path inside the upload>. Datasets and uploads have their names in display_name. To use a NOMAD Oasis, pass base_url:

fs = fsspec.filesystem("nomad", base_url="https://my-oasis.example.org/nomad-oasis")

Only public data is listed. NOMAD's rate limits (HTTP 429 and 503) are retried.

Development

uv sync
uv run pytest -m "not live"  # unit tests
uv run pytest -m live        # a few calls to nomad-lab.eu
uv run ruff check . && uv run ruff format --check . && uv run mypy src

License

MIT