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pip-tools | |
huggingface_hub | |
pydantic==2.10.6 | |
matplotlib | |
numpy | |
scipy | |
torch | |
torchinfo | |
torch-geometric | |
pandas | |
pyarrow | |
scikit-learn | |
xgboost | |
rdkit | |
networkx | |
datasets | |
evaluate | |
selfies | |
gradio | |
transformers | |
requests | |
urllib3 | |
aiohttp | |
zipp | |
umap-learn | |
torch-optimizer | |
tqdm | |
pandas | |
mordred | |