Dataset

CA-9_BB_validation



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Name CA-9_BB_validation
Extended ID CA-9_BB_validation_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_8zft35i5sbgd_0
Description Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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 4,003
Number of Configurations 4,003
Number of Atoms 233,034
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_8zft35i5sbgd_0
Files colabfitspec.json

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