pyyaml>=6.0
numpy>=1.26.0
rich>=13.7.0
jinja2>=3.1.0

[all]
litellm>=1.40.0
fair-esm>=2.0.0
openmm>=8.1.0
pdbfixer>=1.9
mdtraj>=1.10.0
MDAnalysis>=2.7.0
freesasa>=2.2.0
biopython>=1.84
pandas>=2.2.0
matplotlib>=3.9.0
seaborn>=0.13.0
scipy>=1.13.0
scikit-learn>=1.5.0
tqdm>=4.66.0
requests>=2.32.0

[chat]
litellm>=1.40.0

[dev]
pytest>=8.0.0
pytest-cov>=5.0.0
