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Alex-MP-20_Polymorph_Split

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generative modeling

materials discovery

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gpwolfe commited on Oct 23, 2025

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@@ -22,7 +22,11 @@ alex-mp-20-polymorphsplit
 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).
-<br>
 This dataset ensures that structures of the same composition remain together in the same split.
 ### License
 CC-BY-4.0

 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