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For any inquiries or assistance, feel free to contact Mr. CAO Bin at: 📧 Email: [email protected] Cao Bin is a PhD candidate at the Hong Kong University of Science and Technology (Guangzhou), under the supervision of Professor Zhang Tong-Yi. His research focuses on AI for science, especially intelligent crystal-structure analysis and discovery. Learn more about his work on his homepage. |
Report | Homepage | BgoFace UI
Please star this project to support open-source development. For questions or collaboration, contact Dr. Bin Cao ([email protected]).
The Bgolearn project has received support from the Shanghai Artificial Intelligence Open Source Award Project Support Plan (2025) (上海市人工智能开源奖励项目支持计划, 2025,Project).
Bgolearn is a lightweight and extensible Python package for Bayesian global optimization, developed to accelerate materials discovery and design. It provides out-of-the-box support for regression and classification tasks, integrates multiple acquisition strategies, and enables seamless workflows for virtual screening, active learning, and multi-objective optimization.
Official PyPI:
pip install BgolearnVideo Tutorial: Watch on BiliBili Jupyter Demo: Run it Online
pip install Bgolearnpip install --upgrade Bgolearnpip show BgolearnDetailed tutorials and documentation are available at: https://bgolearn.netlify.app/
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Nano Letters – Self-Driving Laboratory under UHV Read
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Small – ML-Engineered Nanozyme System for Anti-Tumor Therapy Read
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Computational Materials Science – Mg-Ca-Zn Alloy Optimization Read
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Measurement – Foaming Agent Optimization in EPB Shield Construction Read
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Intelligent Computing – Metasurface Design via Bayesian Learning Read
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Materials & Design – Lead-Free Solder Alloys via Active Learning Read
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npj Computational Materials – MLMD Platform with Bgolearn Backend Read
Released under the MIT License. Free for academic and commercial use. Please cite relevant publications when used in research.
We welcome community contributions and collaborations:
- Submit issues for bug reports, ideas, or feature suggestions
- Submit pull requests for code improvements
- Contact Bin Cao ([email protected]) for research collaboration opportunities