GAUCHE: A Library for Gaussian Processes in Chemistry.
Ryan-Rhys GriffithsLeo KlarnerHenry B. MossAditya RavuriSang TruongYuanqi DuSamuel StantonGary TomBojana RankovicArian Rokkum JamasbAryan DeshwalJulius SchwartzAustin TrippGregory KellSimon FriederAnthony BourachedAlex ChanJacob MossChengzhi GuoJohannes Peter DürholtSaudamini ChaurasiaJi Won ParkFelix Strieth-KalthoffAlpha A. LeeBingqing ChengAlán Aspuru-GuzikPhilippe SchwallerJian TangPublished in: NeurIPS (2023)