GAUCHE: A Library for Gaussian Processes in Chemistry
Ryan‐Rhys Griffiths, Jian Tang, Jacob Moss, Henry B. Moss, Arian R. Jamasb(University of Cambridge), Leo Klarner, Julius Schwartz, Gregory Kell, Anthony Bourached, Austin Tripp, Philippe Schwaller(École Polytechnique Fédérale de Lausanne), Bojana Ranković, Chengzhi Guo, Sang Truong, Alpha A. Lee, Aditya Ravuri, Yuanqi Du(Cornell University)
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