pydantic>=2.0
numpy>=1.20
pandas>=1.5
scipy>=1.10
scikit-learn>=1.3.0
biopython>=1.81
biotite<1.2.0,>=0.38.0
rdkit!=2026.3.3
jupyter
ipykernel
ipywidgets
ipymol
py3Dmol
matplotlib
tqdm
openpyxl
docstring-parser

[dev]
pytest>=7.3.0
pytest-asyncio>=0.21
pytest-cov>=4.1.0
pytest-forked
pytest-randomly>=3.15
ruff==0.15.12
mypy==1.20.2
types-tqdm
