Dataset

CA-9-test



Download Dataset XYZ file

Name CA-9-test
Extended ID CA-9-test_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_c83tj8qdb2nd_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 2,726
Number of Atoms 206,238
Links https://doi.org/10.24435/materialscloud:6h-yj
https://doi.org/10.1016/j.cartre.2021.100027
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_c83tj8qdb2nd_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.