requirements.txt

Babel==2.14.0
biopython==1.83
chembl-structure-pipeline==1.2.2
ConfigSpace==0.7.1
cycler==0.12.1
dask==2024.5.1
joblib==1.4.0
keras==3.4.1
numpy==1.26.4
optuna==3.6.1
pandas==2.2.2
plotly
rdkit==2023.9.5
scikit-learn==1.4.2
scipy==1.13.0
seaborn==0.13.2
sentencepiece==0.2.0
shap==0.46.0
smac==2.1.0
tensorflow==2.17.0
# torch==2.4.0
tqdm==4.66.2
transformers==4.41.0
umap==0.1.1
xgboost==2.0.3