scikit-learn>=1.4.0
xgboost==2.1.1
seaborn==0.13.2
drfp==0.3.6
fgutils>=0.1.3
rxn-chem-utils==1.5.0
rxn-utils==2.0.0
rxnmapper==0.3.0
rdkit >= 2024.3.3
pandas>=2.2.0