Download Dataset XYZ file

Name NEP-qHPF-train
Extended ID NEP-qHPF-train_Ying__DS_fydj6ftcvdxm_0
Description The train set of a train and test set pair.The combined datasets comprise approximately 275 configurations of monolayer quasi-hexagonal-phase fullerene (qHPF) membrane used to train and test an NEP model.
Authors Penghua Ying
Elements C (100.0%)
Number of Data Objects 238
Number of Configurations 238
Number of Atoms 28,560
Configuration Sets by Name
Configuration Sets by ID
Data Objects
ColabFit ID DS_fydj6ftcvdxm_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.