try incorporating features in YAML

README.md

@@ -21,6 +21,85 @@ task_categories:
   - other
 task_ids:
   - tabular-single-column-regression
+dataset_info:
+  config_name: pm7
+  features:
+  - name: title
+    dtype: string
+  - name: name
+    dtype: string
+  - name: mopac-id
+    dtype: int64
+  - name: net-charge
+    dtype: int64
+  - name: spin-multiplicity
+    dtype: int64
+  - name: openbabel-canonical-smiles
+    dtype: string
+  - name: openbabel-version
+    dtype: string
+  - name: rdkit-canonical-smiles
+    dtype: string
+  - name: rdkit-version
+    dtype: string
+  - name: oechem-canonical-smiles
+    dtype: string
+  - name: oechem-version
+    dtype: string
+  - name: mopac-keywords
+    sequence: string
+  - name: description
+    dtype: string
+  - name: atomic-indices
+    sequence: int64
+  - name: atomic-numbers
+    sequence: int64
+  - name: atomic-symbols
+    sequence: string
+  - name: coordinates
+    sequence: float64
+  - name: bonds
+    sequence: int64
+  - name: enthalpy-of-formation
+    dtype: float64
+  - name: enthalpy-of-formation-error
+    dtype: string
+  - name: enthalpy-of-formation-reference
+    dtype: 'null'
+  - name: enthalpy-of-formation-units
+    dtype: string
+  - name: ionization-energy
+    dtype: float64
+  - name: ionization-energy-error
+    dtype: string
+  - name: ionization-energy-reference
+    dtype: 'null'
+  - name: ionization-energy-units
+    dtype: string
+  - name: entropy
+    dtype: float64
+  - name: entropy-units
+    dtype: string
+  - name: constant-pressure-heat-capacity
+    dtype: float64
+  - name: constant-pressure-heat-capacity-units
+    dtype: string
+  - name: diople-moment
+    dtype: float64
+  - name: dipole-moment-reference
+    dtype: string
+  - name: dipole-moment-units
+    dtype: string
+  - name: mopac-reference-energy
+    dtype: float64
+  - name: mopac-reference-energy-units
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 6783360
+    num_examples: 4617
+  download_size: 2172928
+  dataset_size: 6783360
 configs:
   - config_name: pm7
     data_files: