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1. Liu-group/XACs Liu-group/XACs Public

   Code for "Can Graph Neural Network Learn to Explain Activity Cliffs?"

   Jupyter Notebook 3 1

2. Liu-group/ARPES Liu-group/ARPES Public

   Code for "Detecting thermodynamic phase transition via explainable machine learning of photoemission spectroscopy"

   Python 2

3. Liu-group/SI_data_ml-representation_paper Liu-group/SI_data_ml-representation_paper Public

   SI data for paper "A delta-Machine Learning Approach to Improve the Quantum Chemistry Prediction of Solution-phase Molecular Properties at Ground and Excited States"

   Python 1 1