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| pip-tools | |
| huggingface_hub==0.25.2 | |
| matplotlib==3.9.2 | |
| numpy>=1.26.1, <2.0.0 | |
| scipy>=1.12.0 | |
| torch>=2.1.0 | |
| torchinfo>=1.8.0 | |
| torch-geometric>=2.3.1 | |
| pandas>=1.5.3 | |
| pyarrow>=14.0.1 | |
| scikit-learn>=1.5.0 | |
| xgboost==1.6.2 | |
| rdkit>=2024.3.5 | |
| networkx>=2.8 | |
| datasets>=2.13.1 | |
| evaluate>=0.4.0 | |
| selfies>=2.1.0 | |
| gradio==3.41.0 | |
| transformers==4.38.1 | |
| requests>=2.32.2 | |
| urllib3>=2.2.2 | |
| aiohttp>=3.10.2 | |
| zipp>=3.19.1 | |
| umap-learn | |
| torch-optimizer | |
| tqdm>=4.66.4 | |
| pandas==2.2.3 | |
| mordred | |