Delete README.md

README.md

@@ -1,34 +0,0 @@
----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: cc-by-4.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: TSFF PLOS 2022
----
-# Dataset  
-TSFF PLOS 2022  
-### Description  
-One configuration of an enzyme: training data for a quantum-guided molecular mechanics model.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Taylor R. Quinn, Himani N. Patel, Kevin H. Koh, Brandon E. Haines, Per-Ola Norrby, Paul Helquist, Olaf Wiest  
-### Publication  
-https://doi.org/10.1371/journal.pone.0264960  
-### Original data link 
-https://doi.org/10.1371/journal.pone.0264960.s001  
-### License  
-CC-BY-4.0  
-### Number of unique molecular configurations  
-1  
-### Number of atoms  
-117  
-### Elements included  
-C, H, N, O, S  
-### Properties included  
-energy, atomic forces, cauchy stress  
-### Cite this dataset
-Quinn, T. R., Patel, H. N., Koh, K. H., Haines, B. E., Norrby, P., Helquist, P., and Wiest, O. _TSFF PLOS 2022_. ColabFit, 2023. https://doi.org/10.60732/e75f2602