rdkit>=2026.03.02
numpy<3,>=1.26
scipy<2,>=1.11
pyyaml<7,>=6
svgutils<1,>=0.3
matplotlib<4,>=3.8
torch<3,>=2.2
torch-geometric<3,>=2.5
pandas<3,>=2.1
tqdm<5,>=4.66
click<9,>=8.1
networkx<4,>=3.1
ipython<9,>=8.39
joblib<2

[dev]
pytest<9,>=7
pytest-cov<8,>=4
mypy<2,>=1.10
ruff<1,>=0.4

[webserver]
fastapi<1,>=0.115
uvicorn[standard]
jinja2
python-multipart
itsdangerous
