numpy>=1.21
pandas>=1.3
scikit-learn>=1.0
rdkit>=2022.09
biopython>=1.79
click>=8.0
requests>=2.26
joblib>=1.0

[dev]
pytest>=7.0
pytest-cov>=3.0
black>=22.0
flake8>=4.0
mypy>=0.950
isort>=5.10

[docking]
vina>=1.2.3

[viz]
matplotlib>=3.5
seaborn>=0.11
pillow>=9.0
