This project involves creating tutorials for GAUCHE. See Input Warping Bayesian Optimisation Over Molecules.

References:

1. Griffiths, Ryan-Rhys, Leo Klarner, Henry Moss, Aditya Ravuri, Sang Truong, Yuanqi Du, Samuel Stanton et al. “Gauche: A library for Gaussian processes in chemistry.” Advances in Neural Information Processing Systems 36 (2024).