Add C7H10O2 files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+license: cc0-1.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: C7H10O2
+---
+### <details><summary>Cite this dataset </summary>Ramakrishnan, R., Dral, P., Rupp, M., and Lilienfeld, O. A. _C7H10O2_. ColabFit, 2023. https://doi.org/10.60732/64be4f16</details>  
+#### This dataset has been curated and formatted for the ColabFit Exchange  
+#### This dataset is also available on the ColabFit Exchange:  
+https://materials.colabfit.org/id/DS_olmzgsz9hmxy_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+C7H10O2  
+### Description  
+6095 isomers of C7O2H10. Energetics were calculated at the G4MP2 level of theory.  
+### 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  
+6094  
+### Number of atoms  
+115786  
+### Elements included  
+C, H, O  
+### Properties included  
+energy, cauchy stress  
+<br>
+<hr>  
+
+# Usage  
+- `ds.parquet` : Aggregated dataset information.  
+- `co/` directory: Configuration rows each include a structure, calculated properties, and metadata.  
+- `cs/` directory : Configuration sets are subsets of configurations grouped by some common characteristic. If `cs/` does not exist, no configurations sets have been defined for this dataset.  
+- `cs_co_map/` directory : The mapping of configurations to configuration sets (if defined).  
+<br>
+#### ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:  
+- [Parquet parsing: example code](https://materials.colabfit.org/docs/how_to_use_parquet)  
+- [Dataset info schema](https://materials.colabfit.org/docs/dataset_schema)  
+- [Configuration schema](https://materials.colabfit.org/docs/configuration_schema)  
+- [Configuration set schema](https://materials.colabfit.org/docs/configuration_set_schema)  
+- [Configuration set to configuration mapping schema](https://materials.colabfit.org/docs/cs_co_mapping_schema)  

co/co_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:f3efe639f862d6993a2a643dbffd4198e954bd047a32d0a9862ace13c1d71040
+size 5206309

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:494490e4bdcce8324f980ad36360bddfae4f4a3b72601b159b8787a310f782b9
+size 16100