rdkit-pypi==2022.03.1
numpy==1.21.5
pandas==1.3.5
cytoolz==0.11.2
jmetalpy
PyYAML==6.0
matplotlib==3.5.1
chembl_structure_pipeline
joblib==1.1.0
networkx==2.6.3
click==8.1.3

[testing]
pytest>=7.1.1
pytest-cov>=3.0.0
mypy>=0.942
flake8>=4.0.1
tox>=3.25.0
