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  1. ENS_Score ENS_Score Public

    ENS-Score is machine learning-based scoring function, which applies a probabilistic approach to estimate protein-ligand binding affinity.

    Jupyter Notebook 2 2

  2. ENS_SCORE_GUI ENS_SCORE_GUI Public

    A graphical user interface (GUI) and web application to facilitate the usage of ENS-Score.

    Python

  3. ET_Score ET_Score Public

    A scoring function based on Extra Trees algorithm for predicting ligand-protein binding affinity

    Python 8 3

  4. GB_Score GB_Score Public

    A scoring function based on Gradient Boosting Trees algorithm for predicting ligand-protein binding affinity

    Jupyter Notebook 6 2

  5. addzyme addzyme Public

    Additive Effects on Enzyme Activity Predictor

    Jupyter Notebook

  6. reindeer_software reindeer_software Public

    REINDEER: Protein-Ligand Feature Generator Software

    Python