Pythia

A series of models for protein related tasks, including zero-shot protein stability prediction, ligand binding pocket prediction.

Installation

git clone https://github.com/Wublab/Pythia.git
cd Pythia
pip install -e .

Zero-shot Stability Prediction of Mutations

pythia --pdb_filename examples/1pga.pdb 

Zero-shot stability prediction of proteins

Lower the score is better.

python3 pythia/score.py

Citation

@article{sun2025structure,
  title={Structure-based self-supervised learning enables ultrafast protein stability prediction upon mutation},
  author={Sun, Jinyuan and Zhu, Tong and Cui, Yinglu and Wu, Bian},
  journal={The Innovation},
  volume={6},
  number={1},
  year={2025},
  publisher={Elsevier}
}