Configuration Set

AFF_JCP_2022-aspirin__CS_0qqpkmn13elf_0



Name AFF_JCP_2022-aspirin
Extended ID AFF_JCP_2022-aspirin__CS_0qqpkmn13elf_0
Description Aspirin configurations from AFF_JCP_2022 dataset
Elements C (42.86%)
H (38.1%)
O (19.05%)
Number of Configurations 3,997
Number of Atoms 83,937
Configurations
Datasets DS_5lhmgnxhuia3_0
ColabFit ID CS_0qqpkmn13elf_0
Files colabfitspec.json

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