Upload dataset

README.md

@@ -130,6 +130,71 @@ dataset_info:
     num_examples: 616225
   download_size: 5791162538
   dataset_size: 13626798428.166351
+- config_name: r2scan
+  features:
+  - name: elements
+    sequence: string
+  - name: nsites
+    dtype: int32
+  - name: chemical_formula_anonymous
+    dtype: string
+  - name: chemical_formula_reduced
+    dtype: string
+  - name: chemical_formula_descriptive
+    dtype: string
+  - name: nelements
+    dtype: int8
+  - name: dimension_types
+    sequence: int8
+  - name: nperiodic_dimensions
+    dtype: int8
+  - name: lattice_vectors
+    sequence:
+      sequence: float64
+  - name: immutable_id
+    dtype: string
+  - name: cartesian_site_positions
+    sequence:
+      sequence: float64
+  - name: species
+    dtype: string
+  - name: species_at_sites
+    sequence: string
+  - name: last_modified
+    dtype: string
+  - name: elements_ratios
+    sequence: float64
+  - name: stress_tensor
+    sequence:
+      sequence: float64
+  - name: energy
+    dtype: float64
+  - name: energy_corrected
+    dtype: float64
+  - name: forces
+    sequence:
+      sequence: float64
+  - name: functional
+    dtype: string
+  - name: cross_compatibility
+    dtype: bool
+  - name: space_group_it_number
+    dtype: int32
+  - name: id
+    dtype: string
+  - name: relaxation_step
+    dtype: int32
+  - name: relaxation_number
+    dtype: int32
+  splits:
+  - name: train
+    num_bytes: 912193463.8981528
+    num_examples: 396800
+  - name: test
+    num_bytes: 228648372.26001555
+    num_examples: 99461
+  download_size: 561818984
+  dataset_size: 1140841836.1581683
 - config_name: scan
   features:
   - name: elements
@@ -208,6 +273,12 @@ configs:
     path: pbesol/train-*
   - split: test
     path: pbesol/test-*
+- config_name: r2scan
+  data_files:
+  - split: train
+    path: r2scan/train-*
+  - split: test
+    path: r2scan/test-*
 - config_name: scan
   data_files:
   - split: train

r2scan/test-00000-of-00001.parquet

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+size 119947532

r2scan/train-00000-of-00002.parquet

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+oid sha256:79668a5ca96511a1522a439c40cdd1e67be638dbb9874dd2de5f18cf3db0b57d
+size 199486437

r2scan/train-00001-of-00002.parquet

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+size 242385015