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MolecularAI
QSARtuna MolecularAI
16
105
apache-2.0
5
QSARtuna: QSAR model building with the optuna framework
qsar optuna chemprop compchem qsar-models explainability peptide-modelling uncertainty-estimation computational-chemistry hyperparameter-optimization
Created 2022-01-21
82 commits to master branch, last one about a month ago