Name: NEP qHPF test
License: CC0-1.0

Dataset

NEP_qHPF_test

Name	NEP_qHPF_test
Extended ID	NEP_qHPF_test_Ying__DS_mc8p14cpn2ea_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
DOI	10.60732/f1e6e9fa https://commons.datacite.org/doi.org/10.60732/f1e6e9fa https://doi.datacite.org/dois/10.60732%2Ff1e6e9fa https://doi.org/10.60732/f1e6e9fa Cite as: Ying, P. "NEP qHPF test." ColabFit, 2023. https://doi.org/10.60732/f1e6e9fa. For other citation formats, see the DataCite Fabrica page for this dataset.
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	(None)
Configuration Sets by ID	(None)
Data Objects	DO_1600820762546520791 DO_1070640855325496797 DO_1532116340418226319 DO_1752493967945751297 DO_1424679347864354935 DO_2082810939682082686 DO_878552904572628038 DO_336997467697424137 DO_1128028892450443381 DO_333210790891855715 DO_1727647890768505957 DO_662670646063140917 DO_1648056832231441532 DO_1714183398043922909 DO_137498293725072740 DO_340127978557537382 DO_542028696846645115 DO_2124485661377423991 DO_1235097295569264858 DO_1004161877040586887 DO_44699143178648814 DO_622694122664300429 DO_1367475304080188919 DO_1228269946754416829 DO_1082294709946095181 DO_1979596423460536255 DO_107992303042853029 DO_688328532035708231 DO_555823945388310866 DO_112764397895226223 DO_2086752277255054415 DO_746358466800242868 DO_816572319509477510 DO_1526913851567161610 DO_492206127322069901 DO_2296993159087280202 DO_681574503456011482 DO_50214076192823965 DO_129336855077702222
ColabFit ID	DS_mc8p14cpn2ea_0
Files	colabfitspec.json

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