scikit-learn==1.7.2
tqdm==4.67.1
rdkit==2024.3.6
torch==2.9.1
pandas==2.3.0
datashader==0.18.2
matplotlib==3.10.8
ersilia==0.1.52
umap-learn==0.5.7
xgboost==3.1.3
opentsne==1.0.4
optuna==4.7.0
rich==14.3.3
fpsim2==0.7.4
