typer>=0.9.0
pandas>=2.0.0
chembl_webresource_client>=0.10.8
rdkit>=2023.3.1
scikit-learn>=1.3.0
pydantic>=2.0.0
tqdm>=4.65.0
gradio>=4.0.0
loguru>=0.7.0
matplotlib>=3.7.1
seaborn>=0.12.2
torch>=2.0.0
torch-geometric>=2.5.0
wandb>=0.16.0
notebook>=7.5.2

[dev]
pytest>=7.4.0
ruff>=0.1.0
black==23.11.0
build
twine
