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