Syracuse University; Cornell University; University of Oxford; MILA Quebec AI Institute; Evonik Industries AG; University College London; Washington State University; Meta; University of Toronto; Stanford University; EPFL; University of Cambridge; IST Austria; King’s College London; Genentech
Ryan-Rhys Griffiths, Leo Klarner, Henry Moss, Aditya Ravuri, Sang Truong, Yuanqi Du, Samuel Stanton, Gary Tom, Bojana Rankovic, Arian Jamasb, Arian Jamasb, Aryan Deshwal, Julius Schwartz, Austin Tripp, Gregory Kell, Simon Frieder, Anthony Bourached, Alex Chan, Jacob Moss, Chengzhi Guo, Johannes Peter Dürholt, Saudamini Chaurasia, Ji Won Park, Felix Strieth-Kalthoff, Alpha Lee, Bingqing Cheng, Alan Aspuru-Guzik, Philippe Schwaller, Jian Tang
Gaussian processes;Bayesian optimization;Chemistry;Molecular Machine Learning;Applications;Software
GAUCHE: A Library for Gaussian Processes in Chemistry