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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: cc0-1.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: QM-22
----
-# Dataset  
-QM-22  
-### Description  
-Includes CHON molecules of 4-15 atoms, developed in counterpoint to the MD17 dataset, run at higher total energies (above 500 K) and with a broader configuration space.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Joel M. Bowman, Chen Qu, Riccardo Conte, Apurba Nandi, Paul L. Houston, Qi Yu  
-### Publication  
-https://doi.org/10.1063/5.0089200  
-### Original data link 
-https://github.com/jmbowma/QM-22  
-### License  
-CC0-1.0  
-### Number of unique molecular configurations  
-6762  
-### Number of atoms  
-101430  
-### Elements included  
-C, H, O  
-### Properties included  
-energy, atomic forces, cauchy stress  
-### Cite this dataset
-Bowman, J. M., Qu, C., Conte, R., Nandi, A., Houston, P. L., and Yu, Q. _QM-22_. ColabFit, 2023. https://doi.org/10.60732/999055f6