Upload dataset

README.md

@@ -159,6 +159,59 @@ dataset_info:
     num_examples: 128
   download_size: 484733
   dataset_size: 1491890
+- config_name: perovskites
+  features:
+  - name: mbid
+    dtype: string
+  - name: cif_p1
+    dtype: string
+  - name: cif_symmetrized
+    dtype: string
+  - name: zmatrix
+    dtype: string
+  - name: atom_sequences
+    dtype: string
+  - name: atom_sequences_plusplus
+    dtype: string
+  - name: local_env
+    dtype: string
+  - name: composition
+    dtype: string
+  - name: slices
+    dtype: string
+  - name: crystal_text_llm
+    dtype: string
+  - name: composition_energy
+    dtype: float64
+  - name: geometry_energy
+    dtype: float64
+  - name: composition_energy_normalized
+    dtype: float64
+  - name: geometry_energy_normalized
+    dtype: float64
+  - name: total_energy_alpha_0
+    dtype: float64
+  - name: total_energy_alpha_0.2
+    dtype: float64
+  - name: total_energy_alpha_0.4
+    dtype: float64
+  - name: total_energy_alpha_0.5
+    dtype: float64
+  - name: total_energy_alpha_0.6
+    dtype: float64
+  - name: total_energy_alpha_0.8
+    dtype: float64
+  - name: total_energy_alpha_1
+    dtype: float64
+  splits:
+  - name: train
+    num_bytes: 22017452
+    num_examples: 9088
+  - name: test
+    num_bytes: 9178532
+    num_examples: 3786
+  download_size: 6883084
+  dataset_size: 31195984
 - config_name: phonons
   features:
   - name: mbid
@@ -231,6 +284,12 @@ configs:
     path: jdft2d/train-*
   - split: test
     path: jdft2d/test-*
+- config_name: perovskites
+  data_files:
+  - split: train
+    path: perovskites/train-*
+  - split: test
+    path: perovskites/test-*
 - config_name: phonons
   data_files:
   - split: train

perovskites/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:f1641bbb5e9497fb1f3671d22bf5c1fa03c18044cff8b3063c0e4da17b21b349
+size 2051792

perovskites/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:879ca363000f133f601fdef9a9daea780bb2d47d738f9660a689f6e3b40243a5
+size 4831292