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Try to enjoy everyday
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Try to enjoy everyday
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Achievement: QuickdrawAchievement: Pull SharkAchievement: YOLO

Achievements

Achievement: QuickdrawAchievement: Pull SharkAchievement: YOLO

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Harrison-Li/README.md

Welcome

Hi!👋

My name is Bo Li, hoping to utilize machine learning to accelerate materials discovery. My interest lies in:

  1. Universal Latent structure prediction models (inorganic, organic, hybrid, molecules).
  2. AI for Simulation, surrogate models for MD traj; MLIP.
  3. LLM for Reaction plan and Retrosynthesis reasoning
  4. Agentic AI, auto-research Graph Agent for Self-Driving-Lab.

Feel free to connect with me on my LinkedIn profile or reach out via my email. I’m always happy to chat with anyone interested in AI for Science (AI4S).

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  1. AM3GroupHub/molscreen AM3GroupHub/molscreen Public

    A repo for the computational workflow to design and screen molecules for carbon capture

    Python 2

  2. mofbb mofbb Public

    A customized package to deconstruct/Recompose the building blocks from MOF crystals

    Python

  3. skills skills Public

    Useful Agent skills I collected

    Python

  4. material-informatics-notes material-informatics-notes Public

    My notes from study Multiscale Modeling and AI

    Python 1

  5. perovskite-mutiagent perovskite-mutiagent Public

    Muiti-Agent Framework for Perovskite Solar Cell' Hole Selective layer design

    Jupyter Notebook 1 1

  6. samgpt samgpt Public

    This is my undergraduate final year project working on inverse design of self-assembled monolayers

    Python