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README.md

@@ -6,14 +6,14 @@ dataset_info:
   - name: reaction_energy
     dtype: float64
   - name: other_structure
-    sequence: 'null'
+    list: 'null'
   - name: other_structure_energy
-    sequence: 'null'
+    list: 'null'
   - name: reactant_slab
     list:
     - name: cartesian_site_positions
-      sequence:
-        sequence: float64
+      list:
+        list: float64
     - name: chemical_formula_anonymous
       dtype: string
     - name: chemical_formula_descriptive
@@ -21,16 +21,16 @@ dataset_info:
     - name: chemical_formula_reduced
       dtype: string
     - name: dimension_types
-      sequence: int64
+      list: int64
     - name: elements
-      sequence: string
+      list: string
     - name: elements_ratios
-      sequence: float64
+      list: float64
     - name: immutable_id
       dtype: string
     - name: lattice_vectors
-      sequence:
-        sequence: float64
+      list:
+        list: float64
     - name: nelements
       dtype: int64
     - name: nperiodic_dimensions
@@ -42,9 +42,9 @@ dataset_info:
       - name: attached
         dtype: 'null'
       - name: chemical_symbols
-        sequence: string
+        list: string
       - name: concentration
-        sequence: int64
+        list: int64
       - name: mass
         dtype: 'null'
       - name: name
@@ -54,20 +54,20 @@ dataset_info:
       - name: original_name
         dtype: 'null'
     - name: species_at_sites
-      sequence: string
+      list: string
     - name: system_name
       dtype: string
   - name: reactant_slab_energy
-    sequence: float64
+    list: float64
   - name: product_slab
-    sequence: 'null'
+    list: 'null'
   - name: product_slab_energy
-    sequence: 'null'
+    list: 'null'
   - name: reactant_molecule
     list:
     - name: cartesian_site_positions
-      sequence:
-        sequence: float64
+      list:
+        list: float64
     - name: chemical_formula_anonymous
       dtype: string
     - name: chemical_formula_descriptive
@@ -75,16 +75,16 @@ dataset_info:
     - name: chemical_formula_reduced
       dtype: string
     - name: dimension_types
-      sequence: int64
+      list: int64
     - name: elements
-      sequence: string
+      list: string
     - name: elements_ratios
-      sequence: float64
+      list: float64
     - name: immutable_id
       dtype: string
     - name: lattice_vectors
-      sequence:
-        sequence: float64
+      list:
+        list: float64
     - name: nelements
       dtype: int64
     - name: nperiodic_dimensions
@@ -96,9 +96,9 @@ dataset_info:
       - name: attached
         dtype: 'null'
       - name: chemical_symbols
-        sequence: string
+        list: string
       - name: concentration
-        sequence: int64
+        list: int64
       - name: mass
         dtype: 'null'
       - name: name
@@ -108,24 +108,24 @@ dataset_info:
       - name: original_name
         dtype: 'null'
     - name: species_at_sites
-      sequence: string
+      list: string
     - name: system_name
       dtype: string
   - name: reactant_molecule_energy
-    sequence: float64
+    list: float64
   - name: product_molecule
-    sequence: 'null'
+    list: 'null'
   - name: product_molecule_energy
-    sequence: 'null'
+    list: 'null'
   - name: reactant_adslab
-    sequence: 'null'
+    list: 'null'
   - name: reactant_adslab_energy
-    sequence: 'null'
+    list: 'null'
   - name: product_adslab
     list:
     - name: cartesian_site_positions
-      sequence:
-        sequence: float64
+      list:
+        list: float64
     - name: chemical_formula_anonymous
       dtype: string
     - name: chemical_formula_descriptive
@@ -133,16 +133,16 @@ dataset_info:
     - name: chemical_formula_reduced
       dtype: string
     - name: dimension_types
-      sequence: int64
+      list: int64
     - name: elements
-      sequence: string
+      list: string
     - name: elements_ratios
-      sequence: float64
+      list: float64
     - name: immutable_id
       dtype: string
     - name: lattice_vectors
-      sequence:
-        sequence: float64
+      list:
+        list: float64
     - name: nelements
       dtype: int64
     - name: nperiodic_dimensions
@@ -154,9 +154,9 @@ dataset_info:
       - name: attached
         dtype: 'null'
       - name: chemical_symbols
-        sequence: string
+        list: string
       - name: concentration
-        sequence: int64
+        list: int64
       - name: mass
         dtype: 'null'
       - name: name
@@ -166,30 +166,30 @@ dataset_info:
       - name: original_name
         dtype: 'null'
     - name: species_at_sites
-      sequence: string
+      list: string
     - name: system_name
       dtype: string
   - name: product_adslab_energy
-    sequence: 'null'
+    list: 'null'
   - name: reactant_other
-    sequence: 'null'
+    list: 'null'
   - name: reactant_other_energy
-    sequence: 'null'
+    list: 'null'
   - name: product_other
-    sequence: 'null'
+    list: 'null'
   - name: product_other_energy
-    sequence: 'null'
+    list: 'null'
   - name: equation
     dtype: string
   - name: miller_index
-    sequence: int64
+    list: int64
   - name: sites
     struct:
     - name: shift
       dtype: float64
     - name: sites_coords
-      sequence:
-        sequence: float64
+      list:
+        list: float64
     - name: top
       dtype: bool
   - name: __index_level_0__
@@ -198,7 +198,7 @@ dataset_info:
   - name: train
     num_bytes: 50457103
     num_examples: 7868
-  download_size: 27336719
+  download_size: 27349141
   dataset_size: 50457103
 configs:
 - config_name: default

data/train-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:d1dfbaff272194fc7383f4a2711461abbff1f5a899f1b3f96312b4f15e0a8958
-size 27336719
+oid sha256:fc6165e65328199f6b01d341ea97a9b9943846712bd63063cb84488c360ce6ff
+size 27349141