Dataset

CA-9_BR_validation



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Name CA-9_BR_validation
Extended ID CA-9_BR_validation_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_fgakfcwhn9zc_0
Description Binning-random configurations from CA-9 dataset used during validation step for NNP_BR potential. 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 4,002
Number of Configurations 4,002
Number of Atoms 214,310
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_fgakfcwhn9zc_0
Files colabfitspec.json

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