flask>=1.1.2
hyperopt>=0.2.3
matplotlib>=3.1.3
numpy>=1.18.1
pandas>=1.0.3
pandas-flavor>=0.2.0
scikit-learn>=0.22.2.post1
scipy>=1.6.0
sphinx>=3.1.2
tensorboardX>=2.0
torch>=1.6.0
tqdm>=4.45.0
typed-argument-parser>=1.6.1
rdkit>=2020.03.1.0
descriptastorus

[test]
pytest>=6.2.2
parameterized>=0.8.1
