beartype
cryptography
httpx
pyjwt
tqdm
typer

[core]
humanize
jinja2
more-itertools
nest_asyncio
packaging
pandas
tabulate

[dev]
ipykernel
jupyter-black

[docs]
zensical
mkdocstrings-python
black
python-dotenv
nbconvert
ipykernel

[lint]
ruff

[plots]
bokeh

[test]
pytest
pytest-html
parameterized
coverage
interrogate
pytest-xdist
pytest-markdown-docs
pytest-dependency<0.6.0
fastapi
uvicorn[standard]
nbconvert
ipykernel

[tools]
rdkit==2025.9.1
deeporigin-molstar==0.1.1
biotite
biopython
rcsb-api>=1.1.4
