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Dependencies
- chemprop ==1.6.1
- joblib ==1.4.2
- lightning ==2.4.0
- matplotlib ==3.8.4
- numpy ==1.26.4
- optuna ==3.6.1
- optuna-integration ==4.0.0
- pandas ==2.2.3
- pyyaml ==6.0.2
- rdkit ==2024.3.2
- scikit-learn ==1.5.2
- scipy ==1.14.1
- seaborn ==0.13.2
- torch ==2.4.0
- tqdm ==4.66.5