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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: cc0-1.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: C7H10O2
----
-# Dataset  
-C7H10O2  
-### Description  
-6095 isomers of C7O2H10. Energetics were calculated at the G4MP2 level of theory.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Raghunathan Ramakrishnan, Pavlo Dral, Matthias Rupp, O. Anatole von Lilienfeld  
-### Publication  
-https://doi.org/10.1038/sdata.2014.22  
-### Original data link 
-https://doi.org/10.6084/m9.figshare.c.978904.v5  
-### License  
-CC0-1.0  
-### Number of unique molecular configurations  
-6095  
-### Number of atoms  
-115805  
-### Elements included  
-C, H, O  
-### Properties included  
-energy, atomic forces, cauchy stress  
-### Cite this dataset
-Ramakrishnan, R., Dral, P., Rupp, M., and Lilienfeld, O. A. _C7H10O2_. ColabFit, 2023. https://doi.org/10.60732/64be4f16