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README.md

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+---
+dataset_info:
+  features:
+  - name: publication
+    dtype: string
+  - name: equation
+    dtype: string
+  - name: reaction_energy
+    dtype: float64
+  - name: miller_index
+    sequence: int64
+  - name: sites
+    dtype: string
+  - name: other_structure
+    list:
+    - name: cartesian_site_positions
+      sequence:
+        sequence: float64
+    - name: chemical_formula_anonymous
+      dtype: string
+    - name: chemical_formula_descriptive
+      dtype: string
+    - name: chemical_formula_reduced
+      dtype: string
+    - name: dimension_types
+      sequence: int64
+    - name: elements
+      sequence: string
+    - name: elements_ratios
+      sequence: float64
+    - name: immutable_id
+      dtype: string
+    - name: lattice_vectors
+      sequence:
+        sequence: float64
+    - name: nelements
+      dtype: int64
+    - name: nperiodic_dimensions
+      dtype: int64
+    - name: nsites
+      dtype: int64
+    - name: species
+      list:
+      - name: attached
+        dtype: 'null'
+      - name: chemical_symbols
+        sequence: string
+      - name: concentration
+        sequence: int64
+      - name: mass
+        dtype: 'null'
+      - name: name
+        dtype: string
+      - name: nattached
+        dtype: 'null'
+      - name: original_name
+        dtype: 'null'
+    - name: species_at_sites
+      sequence: string
+    - name: system_name
+      dtype: string
+  - name: other_structure_energy
+    sequence: float64
+  - name: reactant_slab
+    list:
+    - name: cartesian_site_positions
+      sequence:
+        sequence: float64
+    - name: chemical_formula_anonymous
+      dtype: string
+    - name: chemical_formula_descriptive
+      dtype: string
+    - name: chemical_formula_reduced
+      dtype: string
+    - name: dimension_types
+      sequence: int64
+    - name: elements
+      sequence: string
+    - name: elements_ratios
+      sequence: float64
+    - name: immutable_id
+      dtype: string
+    - name: lattice_vectors
+      sequence:
+        sequence: float64
+    - name: nelements
+      dtype: int64
+    - name: nperiodic_dimensions
+      dtype: int64
+    - name: nsites
+      dtype: int64
+    - name: species
+      list:
+      - name: attached
+        dtype: 'null'
+      - name: chemical_symbols
+        sequence: string
+      - name: concentration
+        sequence: int64
+      - name: mass
+        dtype: 'null'
+      - name: name
+        dtype: string
+      - name: nattached
+        dtype: 'null'
+      - name: original_name
+        dtype: 'null'
+    - name: species_at_sites
+      sequence: string
+    - name: system_name
+      dtype: string
+  - name: reactant_slab_energy
+    sequence: float64
+  - name: product_slab
+    sequence: 'null'
+  - name: product_slab_energy
+    sequence: 'null'
+  - name: reactant_molecule
+    list:
+    - name: cartesian_site_positions
+      sequence:
+        sequence: float64
+    - name: chemical_formula_anonymous
+      dtype: string
+    - name: chemical_formula_descriptive
+      dtype: string
+    - name: chemical_formula_reduced
+      dtype: string
+    - name: dimension_types
+      sequence: int64
+    - name: elements
+      sequence: string
+    - name: elements_ratios
+      sequence: float64
+    - name: immutable_id
+      dtype: string
+    - name: lattice_vectors
+      sequence:
+        sequence: float64
+    - name: nelements
+      dtype: int64
+    - name: nperiodic_dimensions
+      dtype: int64
+    - name: nsites
+      dtype: int64
+    - name: species
+      list:
+      - name: attached
+        dtype: 'null'
+      - name: chemical_symbols
+        sequence: string
+      - name: concentration
+        sequence: int64
+      - name: mass
+        dtype: 'null'
+      - name: name
+        dtype: string
+      - name: nattached
+        dtype: 'null'
+      - name: original_name
+        dtype: 'null'
+    - name: species_at_sites
+      sequence: string
+    - name: system_name
+      dtype: string
+  - name: reactant_molecule_energy
+    sequence: float64
+  - name: product_molecule
+    sequence: 'null'
+  - name: product_molecule_energy
+    sequence: 'null'
+  - name: reactant_adslab
+    sequence: 'null'
+  - name: reactant_adslab_energy
+    sequence: 'null'
+  - name: product_adslab
+    list:
+    - name: cartesian_site_positions
+      sequence:
+        sequence: float64
+    - name: chemical_formula_anonymous
+      dtype: string
+    - name: chemical_formula_descriptive
+      dtype: string
+    - name: chemical_formula_reduced
+      dtype: string
+    - name: dimension_types
+      sequence: int64
+    - name: elements
+      sequence: string
+    - name: elements_ratios
+      sequence: float64
+    - name: immutable_id
+      dtype: string
+    - name: lattice_vectors
+      sequence:
+        sequence: float64
+    - name: nelements
+      dtype: int64
+    - name: nperiodic_dimensions
+      dtype: int64
+    - name: nsites
+      dtype: int64
+    - name: species
+      list:
+      - name: attached
+        dtype: 'null'
+      - name: chemical_symbols
+        sequence: string
+      - name: concentration
+        sequence: int64
+      - name: mass
+        dtype: 'null'
+      - name: name
+        dtype: string
+      - name: nattached
+        dtype: 'null'
+      - name: original_name
+        dtype: 'null'
+    - name: species_at_sites
+      sequence: string
+    - name: system_name
+      dtype: string
+  - name: product_adslab_energy
+    sequence: float64
+  - name: reactant_other
+    sequence: 'null'
+  - name: reactant_other_energy
+    sequence: 'null'
+  - name: product_other
+    sequence: 'null'
+  - name: product_other_energy
+    sequence: 'null'
+  splits:
+  - name: train
+    num_bytes: 3907860453
+    num_examples: 728192
+  download_size: 1931954306
+  dataset_size: 3907860453
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+---

data/train-00000-of-00008.parquet

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data/train-00001-of-00008.parquet

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data/train-00002-of-00008.parquet

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data/train-00003-of-00008.parquet

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data/train-00007-of-00008.parquet

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