CodeDemo

This repository provides code demonstrations, tutorials, and datasets for illustrating the application of Bgolearn in materials design and Bayesian optimization.

🎥 Tutorial Video: BiliBili

Installation

Install Bgolearn:

pip install Bgolearn

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Quick Start

Launch Jupyter Notebook:

jupyter notebook

Open any demo notebook and run step-by-step.

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Related Projects

• Bgolearn: https://github.com/Bin-Cao/Bgolearn
• Documentation: https://bgolearn.netlify.app/

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Citation

@article{Cao2026Bgolearn,
  author    = {Bin Cao and Jie Xiong and Jiaxuan Ma and Yuan Tian and Yirui Hu and Mengwei He and Longhan Zhang and Jiayu Wang and Jian Hui and Li Liu and Dezhen Xue and Turab Lookman and Jun Wang and Tong-Yi Zhang},
  title     = {Bgolearn: a unified Bayesian optimization framework for accelerating materials discovery},
  journal   = {npj Computational Materials},
  year      = {2026},
  doi       = {10.1038/s41524-026-02226-3},
  issn      = {2057-3960},
  publisher = {Springer Nature},
  url       = {https://doi.org/10.1038/s41524-026-02226-3}
}