scikit-learn>=0.24.1
tqdm>=4.62.0
hyperopt>=0.2.5
optuna>=3.6.0
scipy>=1.6.2
mendeleev>=0.7
rxntools>=0.0.2
pycuda>=2022.1
rdkit>=2022.9.2
deepchem==2.7.2.dev20231207083329
typed-argument-parser
ipython
