A protein-ligand pair binding affinity(Ki(Inhibition constant) prediction pipeline by taking descriptors for both the Protein and ligand . Best results produced from Xgboost Regressor algorithm
docmab23/Binding-affinity-prediction
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A protein-ligand pair binding affinity(Ki(Inhibition constant) prediction pipeline by taking descriptors for both the Protein and ligand . Best results produced from Xgboost Regressor algorithm
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