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sandres

azevedolab / sandres

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SAnDReS (Statistical Analysis of Docking Results and Scoring functions) is a free and open-source computational environment for the development of machine-learning models for the prediction of ligand-binding affinity. We developed SAnDReS using Python programming language, and SciPy, NumPy, scikit-learn, and Matplotlib libraries as a computational

python machine-learning scikit-learn docking i protein-drug-interactions protein-ligand sandres scoring-function-space
  • Updated Nov 10, 2024
  • Python

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