Anthony Bourached

Data-driven discovery of molecular photoswitches with multioutput Gaussian processes

Ryan‐Rhys Griffiths, Jake L. Greenfield, Aditya R. Thawani et al. · Chemical Science · 2022 · 38 citations · Full text

Natural Sciences, Chemistry, Data Science +12

GAUCHE: A Library for Gaussian Processes in Chemistry

Ryan‐Rhys Griffiths, Leo Klarner, Henry B. Moss et al. · arXiv (Cornell University) · 2022 · 33 citations · Full text

Computing, Chemistry, Computational Chemistry +11

Modeling the Multiwavelength Variability of Mrk 335 Using Gaussian Processes

Ryan‐Rhys Griffiths, Jiachen Jiang, D. J. K. Buisson et al. · Apollo (University of Cambridge) · 2021 · 21 citations · Full text

Natural Sciences, Astronomy, Physics +13

The Photoswitch Dataset: A Molecular Machine Learning Benchmark for the Advancement of Synthetic Chemistry

Aditya R. Thawani, Ryan‐Rhys Griffiths, Arian R. Jamasb et al. · ChemRxiv · 2020 · 14 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +14