Configuration Set

DeePMD-SE-pyridine__CS_021y2g940wwo_0




Name DeePMD-SE-pyridine
Extended ID DeePMD-SE-pyridine__CS_021y2g940wwo_0
Description Pyridine configurations from DeePMD-SE dataset
Elements C (45.45%)
H (45.45%)
N (9.09%)
Number of Configurations 38,224
Number of Atoms 6,727,424
Configurations