Bourached, Anthony
- GAUCHE: A Library for Gaussian Processes in Chemistry
2022/12/06 by Ryan‐Rhys Griffiths, Griffiths, Ryan-Rhys, Leo Klarner +41 · 8 citations
Chemistry · Computer Science · Engineering · #Advanced Chemical Sensor Technologies #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Mass Spectrometry Techniques and Applications #Materials Science (cond-mat.mtrl-sci)
- Data-Driven Discovery of Molecular Photoswitches with Multioutput Gaussian Processes
2020/06/28 by Ryan‐Rhys Griffiths, Griffiths, Ryan-Rhys, Jake L. Greenfield +17 · 4 citations
Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Photochromic and Fluorescence Chemistry