Chemformer: a pre-trained transformer for computational chemistry

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Ross Irwin, Spyridon Dimitriadis, Jiazhen He, Esben Jannik Bjerrum

Published: 01 Jan 2022, Last Modified: 29 Apr 2024Mach. Learn. Sci. Technol. 2022EveryoneRevisionsBibTeXCC BY-SA 4.0
Abstract: Chemformer: a pre-trained transformer for computational chemistry, Ross Irwin, Spyridon Dimitriadis, Jiazhen He, Esben Jannik Bjerrum