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ting2025/README.md

🌻Hi, this is Ting, a PhD student in Chemical Engineering, University of Notre Dame
🍃I am supervised by Professor Yamil J. Colón, working on automated molecular discovery
✨I look forward to all collaborating opportunities, including computational chemistry, AI4S or pure algorthmic approaches.

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  1. SMiCRM SMiCRM Public

    Facilitating the translation of molecular images in chemical reaction mechanisms into computer readable molecular identities

    Python 6

  2. CYF2000127/MolNexTR CYF2000127/MolNexTR Public

    This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"

    Jupyter Notebook 162 34

  3. MechDataExtractor MechDataExtractor Public

    Image pretreatment for OSCR tasks especially for task related to molecular identity recognition from chemical reaction mechanisms.

    Python 7