numpy>=1.19.0
scipy>=1.5.0
matplotlib>=3.3.0
scikit-learn>=0.24.0
requests
packaging
pandas
tabulate
tqdm

[dev]
pytest>=6.0.0
pytest-cov>=2.10.0
black>=20.8b1
flake8>=3.8.0

[gpu]
torch>=1.9.0

[rdkit]
rdkit>=2020.09.1
