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.ipynb_checkpoints/README-checkpoint.md

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+---
+configs:
+- config_name: train
+  path: "train.parquet"
+- config_name: val
+  path: "val.parquet"
+- config_name: test
+  path: "test.parquet"
+
+license: cc-by-4.0
+tags:
+  - generative modeling
+  - materials discovery
+  - DFT
+pretty_name: Alex-MP-20-polymorph-split
+---
+### Dataset Name  
+Alex-MP-20-polymorph-split  
+### Citation  
+Please cite [Martirossyan et al. (https://arxiv.org/abs/2509.12178)](https://arxiv.org/abs/2509.12178) if your work utilizes this dataset.  
+### Description  
+A new split for performing crystal structure prediction on the [Alex-MP-20 dataset (https://github.com/microsoft/mattergen/tree/main/data-release/alex-mp)](https://github.com/microsoft/mattergen/tree/main/data-release/alex-mp) which contains structures from MP-20 (Jain 2013, doi: 10.1063/1.4812323) and Alexandria (Schmidt 2022, doi: 10.24435/materialscloud:m7-50).  
+This dataset ensures that structures of the same composition remain together in the same split.  
+<br>  
+<b>Contents: </b>  
+train: 405,073 structures  
+test: 135,116 structures  
+val: 135,015 structures  
+### License  
+CC-BY-4.0  

README.md

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 ---
 configs:
-- config_name: default
-  data_files: 
-  - split: train
-    path: "train.parquet"
-  - split: val
-    path: "val.parquet"
-  - split: test
-    path: "test.parquet"
+- config_name: train
+  path: "train.parquet"
+- config_name: val
+  path: "val.parquet"
+- config_name: test
+  path: "test.parquet"
 
 license: cc-by-4.0
 tags:

test.parquet

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