numpy>=1.23
pandas>=1.5
scikit-learn>=1.1
scipy>=1.9
matplotlib>=3.6
networkx>=2.8

[agent]
openai>=1.30
fastapi>=0.110
uvicorn[standard]>=0.29
click>=8.0

[dev]
pytest
pytest-cov
black
ruff
jupyter

[docs]
properdocs>=1.6.0
properdocs-theme-mkdocs>=1.6.0

[rdkit]
rdkit>=2022.03
