Configuration Set


Name xxMD-CASSCF_train_malonaldehyde
Extended ID xxMD-CASSCF_train_malonaldehyde__CS_s1iquqj142g8_0
Description Configurations of malonaldehyde from xxMD-CASSCF_train dataset
Elements C (33.33%)
H (44.44%)
O (22.22%)
Number of Configurations 14,000
Number of Atoms 126,000
Datasets DS_qvljl3vtdp0f_0
ColabFit ID CS_s1iquqj142g8_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.