Configuration Set

AFF_JCP_2022-alpha-glucose__CS_7lms9qkotnor_0



Name AFF_JCP_2022-alpha-glucose
Extended ID AFF_JCP_2022-alpha-glucose__CS_7lms9qkotnor_0
Description alpha-glucose configurations from AFF_JCP_2022 dataset
Elements C (25.0%)
H (50.0%)
O (25.0%)
Number of Configurations 3,000
Number of Atoms 72,000
Configurations
Datasets DS_294zg1j9lo6j_0
ColabFit ID CS_7lms9qkotnor_0
Files colabfitspec.json

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