nomad-lab>=1.4.0
nomad-schema-plugin-run>=1.0.1
nomad-schema-plugin-simulation-workflow>=1.0.1
rdkit
openpyxl
lxml_html_clean
pyarrow>=22.0.0
nbformat>=5.10.4

[dev]
pytest
ruff
structlog
python-logstash
mkdocs
mkdocs-material>=9.0
pymdown-extensions
mkdocs-click
mkdocs-macros-plugin>=1.0
mkdocs-jupyter
mkdocs-glightbox
pydantic>=2.0
nomad-docs>=0.1.3

[extraction]
perla-extract>=0.0.3

[notebooks]
huggingface_hub>=0.20
nbformat
dabest
