MoleculeGenerator / requirements.txt
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updated app.py to use flask
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numpy==1.26.4
pandas==2.3.3
scikit-learn==1.7.2
matplotlib==3.10.7
matplotlib-inline==0.2.1
seaborn==0.13.2
ipykernel==7.1.0
lightgbm==4.6.0
optuna==4.6.0
xgboost==3.1.2
wandb==0.23.1
rdkit-pypi==2022.9.5
crem==0.2.16
joblib==1.5.2
tqdm==4.67.1
huggingface_hub==1.2.1
pytest==9.0.2
flask