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Dependencies
- biopython >=1.85
- click >=8.2.1
- dimorphite-dl ==2.0.2
- hydra-core ==1.3.2
- joblib >=1.5.1
- matplotlib >=3.10.5
- numpy ==1.26.4
- pandas >=2.3.1
- pymol-open-source-whl ==3.1.0.4
- rdkit >=2025.3.5
- scikit-learn >=1.7.1
- scipy >=1.15.3
- seaborn >=0.13.2
- torch ==2.6.0
- torch-geometric ==2.6.0
- tqdm >=4.67.1