GAUCHE: A Library for Gaussian Processes in Chemistry
Ryan-Rhys Griffiths Leo Klarner Henry Moss Aditya Ravuri Sang T. Truong Yuanqi Du Samuel Don Stanton Gary Tom Bojana Ranković Arian Rokkum Jamasb Aryan Deshwal Julius Schwartz Austin Tripp Gregory Kell Simon Frieder Anthony Bourached Alex James Chan Jacob Moss Chengzhi Guo Johannes P. Dürholt Saudamini Chaurasia Ji Won Park Felix Strieth-Kalthoff Alpha Lee Bingqing Cheng Alan Aspuru-Guzik Philippe Schwaller Jian Tang