/tools/QSARtuna

QSARtuna

MolecularAI/QSARtuna

12 stars4 forksJupyter NotebookAdded February 5, 2026
summary

QSARtuna is a library for building predictive QSAR models with optimized hyperparameters using machine learning. It facilitates the optimization of molecular descriptors and algorithms to enhance the accuracy of molecular property predictions.

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