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Philosophy
What is MolFlux?
Standard API
Standardisation
Tutorials
ESOL regression
ESOL classification
ESOL uncertainty
QM9 Regression
Datasets
Datasets in a nutshell
Basic usage
More data loading options
Save a dataset
Featurising
Splitting
Features
Features in a nutshell
Basic usage
Add your own representations
Splits
Splits in a nutshell
Basic usage
Add your own splitting strategy
Splitting Strategies Gallery
ModelZoo
ModelZoo in a nutshell
Basic usage
Uncertainty for models
Add your own model architecture
Metrics
Metrics in a nutshell
Basic usage
Add your own metrics
Productionising
Building models for production
Featurisation
Models
Tracking
Index
