biopython>=1.81
numpy>=1.21.0
pandas>=1.3.0
scipy>=1.7.0
scikit-learn>=0.24.0
rdkit>=2021.09.0
natsort>=8.0.0
rmsd>=1.4.0

[clustering]
matplotlib>=3.5
plotly>=5.0

[dev]
pytest>=7.0
pytest-cov>=4.0
black>=23.0
isort>=5.12
flake8>=6.0
mypy>=1.0
types-setuptools
types-requests

[docs]
sphinx>=6.0
sphinx-rtd-theme>=1.2
myst-parser>=0.19

[examples]
jupyter>=1.0
notebook>=6.0
matplotlib>=3.5
