pdb-tools>=2.5.0
biopython==1.*
jsonpickle>=2.1.0
numpy==1.*
pyyaml>=6.0
scipy>=1.10.0
toml>=0.10.2
pandas==2.*
plotly==5.24.1
kaleido==0.2.1
freesasa>=2.2.1

[dev]
coverage==7.6.1
pytest==8.3.3
pytest-cov==4.0.0
hypothesis==6.112.2
pytest-mock==3.14.0
fastapi==0.115.0
httpx==0.27.0
mpi4py==4.0.0

[docs]
sphinx>=2
sphinx-argparse>=0.4.0
sphinx_rtd_theme>=2.0.0
CommonMark>=0.9.1
mock>=5.0.2
myst-parser>=1.0.0
