Upload README.md with huggingface_hub

README.md

@@ -0,0 +1,34 @@
+---
+configs:
+- config_name: default
+  data_files: "main/*.parquet"
+license: cc-by-4.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: CA-9 validation
+---
+# Dataset  
+CA-9 validation  
+### Description  
+Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials  
+<br>Additional details stored in dataset columns prepended with "dataset_".  
+### Dataset authors  
+Daniel Hedman, Tom Rothe, Gustav Johansson, Fredrik Sandin, J. Andreas Larsson, Yoshiyuki Miyamoto  
+### Publication  
+https://doi.org/10.1016/j.cartre.2021.100027  
+### Original data link 
+https://doi.org/10.24435/materialscloud:6h-yj  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+8000  
+### Number of atoms  
+436601  
+### Elements included  
+C  
+### Properties included  
+energy, atomic forces, cauchy stress  
+### Cite this dataset
+Hedman, D., Rothe, T., Johansson, G., Sandin, F., Larsson, J. A., and Miyamoto, Y. _CA-9 validation_. ColabFit, 2023. https://doi.org/10.60732/5cebd981