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jiaor17/README.md

Hi, I'm Rui Jiao 👋

🎓 I received my Ph.D. from Tsinghua University.

🔬 My research interests lie in generative models and agentic systems for scientific discovery, especially materials and biomolecules.

🌐 Homepage: https://jiaor17.github.io/

📫 Feel free to reach out: [email protected]

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  1. MEET MEET Public

    The implementation for the paper "Scalable Peptide Design via Memory-Efficient Equivariant Transformer"

    Python 4

  2. DiffCSP DiffCSP Public

    [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

    Python 173 65

  3. DiffCSP-PP DiffCSP-PP Public

    [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"

    Python 69 20

  4. 3D-EMGP 3D-EMGP Public

    [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"

    Python 33 7

  5. MOF-BFN MOF-BFN Public

    [NeurIPS 2025] The implementation for the paper "MOF-BFN: Metal-Organic Frameworks Structure Prediction via Bayesian Flow Networks"

    Python 10 1

  6. EPT EPT Public

    [Nature Communications] The implementation for the paper "An equivariant pretrained transformer for unified 3D molecular representation learning"

    Python 15 3