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Inverse design of 3d molecular structures with conditional generative neural networks.
Niklas W. A. Gebauer
Michael Gastegger
Stefaan S. P. Hessmann
Klaus-Robert Müller
Kristof T. Schütt
Published in:
CoRR (2021)
Keyphrases
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neural network
molecular structures
building blocks
genetic algorithm
computer vision
self organizing maps
feed forward
machine learning
learning algorithm
image processing
pattern recognition
probabilistic model
semi supervised
multilayer perceptron