Name: NEP-qHPF-test
License: https://creativecommons.org/publicdomain/zero/1.0/

Dataset

NEP-qHPF-test

Name	NEP-qHPF-test
Extended ID	NEP-qHPF-test_Ying__DS_xu34yu1d1oxk_0
Description	The test 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	39
Number of Configurations	39
Number of Atoms	4,680
Links	https://doi.org/10.5281/zenodo.7018572 https://doi.org/10.1016/j.eml.2022.101929
Configuration Sets by Name
Configuration Sets by ID
Data Objects	DO_1696336946326179141 DO_2174237036330951950 DO_2073724747304744237 DO_1795928066918097214 DO_1619308915940828295 DO_736768817005086659 DO_72804587126046361 DO_2178218367246724712 DO_1400389875122580797 DO_832586595261736375 DO_9101020483989697 DO_1737342828184988850 DO_2227336812076755656 DO_1046222938517473580 DO_466486188126582549 DO_1238667801230832294 DO_1617873781475824649 DO_140816429459181443 DO_557987939764835567 DO_2122987945193300655 DO_1033119182513029437 DO_1538196209535142351 DO_396984383850983523 DO_553659686379952355 DO_918083063330495412 DO_639739273491481127 DO_180856376423022869 DO_947174388846952264 DO_1964597205169448655 DO_341544292459239261 DO_2289355040297961736 DO_1672932438306516657 DO_698797161137434307 DO_2016878578120859724 DO_1901620537290681981 DO_1548690989653366786 DO_1554733545534291081 DO_846142623331862196 DO_1211435589320860151
ColabFit ID	DS_xu34yu1d1oxk_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.