Dataset

CA-9_test



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Name CA-9_test
Extended ID CA-9_test_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_h0mshvvbxlai_0
Description Test configurations from CA-9 dataset used to evaluate trained NNPs.CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials
Authors Daniel Hedman
Tom Rothe
Gustav Johansson
Fredrik Sandin
J. Andreas Larsson
Yoshiyuki Miyamoto
Elements C (100.0%)
Number of Data Objects 2,726
Number of Configurations 2,727
Number of Atoms 206,302
Links https://doi.org/10.1016/j.cartre.2021.100027
https://doi.org/10.24435/materialscloud:6h-yj
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_h0mshvvbxlai_0
Files colabfitspec.json

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