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W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.
Amir Karton
Nitai Sylvetsky
Jan M. L. Martin
Published in:
J. Comput. Chem. (2017)
Keyphrases
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high confidence
high level
benchmark datasets
computational cost
higher order
neural network
significant improvement
low level
empirical studies
graph structure
data mining
machine learning
information retrieval
synthetic datasets