Dataset

CA-9_BR_training



Download Dataset XYZ file

Name CA-9_BR_training
Extended ID CA-9_BR_training_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_fw7m5d8b0fa9_0
Description Binning-random configurations from CA-9 dataset used for training 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 20,013
Number of Configurations 20,013
Number of Atoms 1,072,779
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 Too many to display
ColabFit ID DS_fw7m5d8b0fa9_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.