bokeh==3.9.1
chembl_structure_pipeline==1.2.4
ipython==9.14.1
joblib==1.5.3
matplotlib==3.11.0
mordredcommunity[full]==2.0.7
myst-parser==5.1.0
numpy==2.4.6
openpyxl==3.1.5
pandas==3.0.3
Pillow==12.2.0
py3Dmol==2.5.5
pytest==9.1.1
rdkit==2026.3.3
scikit_learn==1.9.0
scipy==1.18.0
seaborn==0.13.2
selfies==2.2.0
shap==0.52.0
sphinx==9.1.0
tqdm==4.67.1
umap-learn==0.5.12
xgboost==3.3.0
