Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Transformer Neural Network for Structure Constrained Molecular Optimization
, Authors:
Jiazhen He, Felix Mattsson, Marcus Forsberg, Esben Jannik Bjerrum, Ola Engkvist, eva nittinger, Christian Tyrchan, Werngard Czechtizky
Version 1 posted 15 April 2021
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