Upload dataset

README.md

@@ -106,6 +106,59 @@ dataset_info:
     num_examples: 128
   download_size: 484733
   dataset_size: 1491890
+- config_name: phonons
+  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: 3444379
+    num_examples: 1012
+  - name: test
+    num_bytes: 881820
+    num_examples: 253
+  download_size: 1259926
+  dataset_size: 4326199
 configs:
 - config_name: formenergy
   data_files:
@@ -119,4 +172,10 @@ configs:
     path: jdft2d/train-*
   - split: test
     path: jdft2d/test-*
+- config_name: phonons
+  data_files:
+  - split: train
+    path: phonons/train-*
+  - split: test
+    path: phonons/test-*
 ---

phonons/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+oid sha256:198fe39fb2a6c31df52fea1986c58692027d9ca24af3c576fa9df8cc0a962726
+size 269438

phonons/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4291f28006f9710ddcea54306263918bf7b48c101e7b84245bb35865dfc56856
+size 990488