rdkit
numpy
pandas
networkx
tqdm
svgutils
scikit-learn
matplotlib

[database]
sqlalchemy>=1.4.0

[dev]
pytest
pytest-cov

[gui]
PySide6>=6.4
plotly>=5.0
umap-learn>=0.5
openpyxl>=3.0
sqlalchemy>=1.4.0
matplotlib>=3.5
