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README.md

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+---
+configs:
+- config_name: default
+license: cc-by-4.0
+tags:
+- generative modeling
+- materials discovery
+- DFT
+pretty_name: perov-5_polymorph_split
+---
+### Description  
+A new split of the perov-5 dataset which contains 18,928 perovskite structures within which there are only 9,646 unique compositions (9,282 compositions show up twice in the dataset, while 364 compositions show up once). The new splits ensure that polymorph pairs are grouped within the training, validation, and test sets.  
+  
+train.xyz: 11356 structures.  
+val.xyz: 3785 structures.  
+test.xyz: 3787 structures.  
+
+### License  
+CC-BY-4.0  

test.parquet

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+size 1624019

train.parquet

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+size 2728471

val.parquet

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+size 1629269