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Conformation-Guided Molecular Representation with Hamiltonian Neural Networks.
Ziyao Li
Shuwen Yang
Guojie Song
Lingsheng Cai
Published in:
ICLR (2021)
Keyphrases
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neural network
pattern recognition
artificial neural networks
fault diagnosis
data sets
multi layer
feature representation
data mining
genetic algorithm
feature extraction
object recognition
constraint satisfaction problems
neural nets
fuzzy systems
representation scheme
protein structure prediction