ase==3.23.0
biopython==1.84.0
MDAnalysis==2.7.0
numpy==1.26.4
pandas==2.2.2
plotly==5.23.0
pyKVFinder==0.6.15

[dev]
black==24.4.2
flake8==7.1.0
pytest==8.3.2

[docs]
sphinx==7.3.7
sphinx-rtd-theme==2.0.0
