Configuration Set

QM_Hamiltonian_malondialdehyde__CS_esu9vglloxqm_0



Name QM_Hamiltonian_malondialdehyde
Extended ID QM_Hamiltonian_malondialdehyde__CS_esu9vglloxqm_0
Description All malondialdehyde configurations from the Quantum Machine Molecular Hamiltonians and Overlap Matrices set
Elements C (33.33%)
H (44.44%)
O (22.22%)
Number of Configurations 26,978
Number of Atoms 242,802
Configurations
Datasets DS_02cqe6a0bobu_0
ColabFit ID CS_esu9vglloxqm_0
Files colabfitspec.json

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