Upload dataset

README.md

@@ -248,6 +248,68 @@ dataset_info:
     num_examples: 189350
   download_size: 112523608
   dataset_size: 293353105
+- config_name: non_compatible
+  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: magnetic_moments
+    sequence: float64
+  - name: forces
+    sequence:
+      sequence: float64
+  - name: total_magnetization
+    dtype: float64
+  - name: dos_ef
+    dtype: float64
+  - name: functional
+    dtype: string
+  - name: cross_compatibility
+    dtype: bool
+  - name: bawl_fingerprint
+    dtype: string
+  - name: space_group_it_number
+    dtype: int32
+  splits:
+  - name: train
+    num_bytes: 1033417391
+    num_examples: 643184
+  download_size: 184671290
+  dataset_size: 1033417391
 configs:
 - config_name: compatible_pbe
   data_files:
@@ -265,4 +327,8 @@ configs:
   data_files:
   - split: train
     path: compatible_scan/train-*
+- config_name: non_compatible
+  data_files:
+  - split: train
+    path: non_compatible/train-*
 ---

non_compatible/train-00000-of-00003.parquet

@@ -0,0 +1,3 @@
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+oid sha256:6b944f3dca41ccb7d6587f48c3a75e4b1c6005c6e0d867b3b40ff7fd8b07c334
+size 91327554

non_compatible/train-00001-of-00003.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:730064e14d507c298d0bc3c5eff00be112d23f90f54da64fb1816fed134d2948
+size 41100461

non_compatible/train-00002-of-00003.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:de503e1777301386d13ffe3232d183dcef673593212d84e169cea94b321cd290
+size 52243275