flask<=2.1.3,>=1.1.2
Werkzeug<3
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
sphinx>=3.1.2
sphinx-rtd-theme>=2.0.0
tensorboardX>=2.0
torch>=1.4.0
tqdm>=4.45.0
typed-argument-parser>=1.6.1
rdkit>=2020.03.1.0

[:python_version == "3.7"]
scipy<1.11
descriptastorus<2.6.1

[:python_version == "3.8"]
scipy>=1.9
descriptastorus>=2.6.1

[test]
pytest>=6.2.2
parameterized>=0.8.1
