Configuration Set

MISPR-ESP__CS_3a0ard4xbvjr_0



Name MISPR-ESP
Extended ID MISPR-ESP__CS_3a0ard4xbvjr_0
Description Configurations from MISPR dataset produced by the MISPR electrostatic partial charge (ESP) workflows
Elements C (27.52%)
F (22.61%)
H (42.6%)
O (6.91%)
S (0.16%)
N (0.16%)
P (0.04%)
Number of Configurations 375
Number of Atoms 7,500
Configurations
Datasets DS_rsao7xrpu9ig_0
ColabFit ID CS_3a0ard4xbvjr_0
Files colabfitspec.json

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