Add OPoly26-val files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+license: other
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: OPoly26-val
+---
+### <details><summary>Cite this dataset </summary>Levine, D. S., Liesen, N., Chua, L., Diffenderfer, J., Ingolfsson, H. I., Kroonblawd, M. P., Kumar, N., Maiti, A., Mohottalalage, S. S., Shuaibi, M., Essen, B. V., Wood, B. M., Zitnick, C. L., Blau, S. M., and Antoniuk, E. R. _OPoly26-val_. ColabFit, 2026. https://doi.org/None</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_oinzbpqoh8c8_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+OPoly26-val  
+### Description  
+Validation set of the Open Polymers 2026 (OPoly26) dataset. OPoly26 contains over 6.57 million density functional theory (DFT) calculations on cluster fragments of up to 360 atoms derived from polymeric systems. The dataset encompasses variations in monomer composition, polymerization degree, chain architectures, and solvation environments to improve machine learning model performance for polymer property prediction. Calculations were performed at the B97M-V/def2-SVP level of theory using ORCA.  
+### Dataset authors  
+Daniel S. Levine, Nicholas Liesen, Lauren Chua, James Diffenderfer, Helgi I. Ingolfsson, Matthew P. Kroonblawd, Nitesh Kumar, Amitesh Maiti, Supun S. Mohottalalage, Muhammed Shuaibi, Brian Van Essen, Brandon M. Wood, C. Lawrence Zitnick, Samuel M. Blau, Evan R. Antoniuk  
+### Publication  
+https://doi.org/10.48550/arXiv.2512.23117  
+### Original data link  
+https://huggingface.co/facebook/OMol25  
+### License  
+FAIR Chemistry License  
+### Number of unique molecular configurations  
+210302  
+### Number of atoms  
+37298046  
+### Elements included  
+Al, B, Br, C, Ca, Cl, Co, Cs, Cu, F, Fe, H, I, K, La, Li, Mg, N, Na, Ni, O, P, S, Sr, Zn  
+### Properties included  
+energy, atomic forces  
+<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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+oid sha256:7220529d0ba623f1d03559f7237c34b1185f0e90fd5aec43236d8c9e19557f16
+size 1277550857

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:5370e8edebb2effbbf08577ba7e20af5d447280340b3ba0908a56af8e366e148
+size 18749