Contents Menu Expand Light mode Dark mode Auto light/dark mode
GAUCHE documentation
GAUCHE documentation
  • Loading and Featurising Molecular Data
  • GP Regression on Molecules
  • Bayesian Optimisation Over Molecules
  • Sparse GP Regression on Molecules
  • Multitask GP Regression on Molecules
  • Learning an Objective Function through Interaction with a Human Chemist
  • Preferential Bayesian Optimisation
  • GP Regression on Protein Sequences: Bag of Amino Acids
  • GP Regression on Protein Sequences: Subsequence String Kernel
  • Bayesian GNNs for Molecular Property Prediction

API Reference

  • gauche.kernels
  • gauche.representations
  • gauche.dataloader
Back to top
Copyright © 2022, Ryan Rhys-Griffiths
Made with Sphinx and @pradyunsg's Furo