Skip to main content

Ctrl+K

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

Search

Ctrl+K

By Exscientia