QSARtuna

Documentation:

Intro and Quick Start
Jupyter Notebook: Preprocessing Data for QSARtuna
QSARtuna CLI Tutorial
AutoML (Automated model retraining)
List of available ML algorithms
List of available molecular descriptors
List of available evaluation splits
List of available data transform
List of available deduplicators

QSARtuna

Available deduplicators
View page source

Available deduplicators

KeepFirst

KeepLast

KeepRandom

KeepMin

KeepMax

KeepAvg

KeepMedian

KeepKeepAllNoDeduplication

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