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Dependencies
- huggingface-hub >=0.22.2
- joblib >=1.3.2
- networkx >=3.2.1
- numpy
- optuna >=4.0.0
- rdkit >=2023.9.5
- scikit-learn >=1.2.2
- scipy >=1.14.1
- torch >=2.2.0
- torch-geometric >=2.6.1
- tqdm >=4.66.2