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  1. GXLE GXLE Public

    Prediction of Binding Free Energy of Protein–Ligand Complexes with a Hybrid Molecular Mechanics/Generalized Born Surface Area and Machine Learning Method

    Shell 8 1

  2. XLPFE XLPFE Public

    XLPFE: a Simple and Effective Machine Learning Scoring Function for Protein-ligand Scoring and Ranking

    Python 5 1

  3. FGNN FGNN Public

    Ligand binding affinity prediction with fusion of graph neural networks and 3D structure-based complex graph

    Python 4 1

  4. QDL-DTA QDL-DTA Public

    Prediction of Protein-Ligand Binding Affinity by a Hybrid Quantum-Classical Deep Learning Algorithm

    Python 2