Upload dataset

README.md

@@ -1,6 +1,59 @@
 ---
 dataset_info:
-  config_name: jdft2d
+- config_name: formenergy
+  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: 243849115
+    num_examples: 62630
+  - name: test
+    num_bytes: 157654885
+    num_examples: 26391
+  download_size: 133682469
+  dataset_size: 401504000
+- config_name: jdft2d
   features:
   - name: mbid
     dtype: string
@@ -54,6 +107,12 @@ dataset_info:
   download_size: 484733
   dataset_size: 1491890
 configs:
+- config_name: formenergy
+  data_files:
+  - split: train
+    path: formenergy/train-*
+  - split: test
+    path: formenergy/test-*
 - config_name: jdft2d
   data_files:
   - split: train

formenergy/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:cc238bb97cc85986d4f6cbc54dd18789baad6f8c89d00983907871420b842913
+size 54173027

formenergy/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9aa659c584c9129b1c466de79d91efc7af75b9888dd12a5c311407522dd0dfb7
+size 79509442