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  • Zhejiang University
  • Hangzhou, China
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  1. SPMS SPMS Public

    A Molecular Stereostructure Descriptor based on Spherical Projection

    Jupyter Notebook 11 5

  2. AHO AHO Public

    This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".

    Python 8 3

  3. SyntheticSpacePrediction SyntheticSpacePrediction Public

    This is a repository for paper "Holistic Prediction of Synthetic Space by Implementing Transition State Knowledge in Machine Learning"

    Jupyter Notebook 6 6

  4. TCQC TCQC Public

    This is the code repository for "The First World Science Intelligence Contest: Quantum Chemistry Track"

    Python

  5. RXNBarrier RXNBarrier Public

    This repository hosts a suite of scripts designed for comprehensive end-to-end reaction barrier calculations.

    Python 1