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Dependencies
- chembl-structure-pipeline <1.2.0,>=1.0.0
- gensim ==3.8.3
- importlib-resources >=6.1.1
- mol2vec ==0.2.2
- nerdd-module >=0.1.9
- numpy ==1.19.2
- pandas ==1.2.1
- rdkit >=2022.3.3
- scikit-learn ==0.23.2
- setuptools <60.0
9 optional dependencies
- black[dev]
- hypothesis[test]
- hypothesis-rdkit[test]
- isort[dev]
- mypy[dev]
- pytest[test]
- pytest-bdd[test]
- pytest-cov[test]
- pytest-watch[test]