Dataset
CA-9-BB-training
Download Dataset XYZ file
| Name | CA-9-BB-training |
|---|---|
| Extended ID | CA-9-BB-training_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_y2h1podlwd81_0 |
| Description | Binning-binning configurations from CA-9 dataset used for training 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 | 20,012 |
| Number of Configurations | 20,012 |
| Number of Atoms | 1,054,055 |
| 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 | Too many to display |
| ColabFit ID | DS_y2h1podlwd81_0 |
| Files | colabfitspec.json |
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