["task_categories:tabular-regression", "task_categories:other", "task_ids:tabular-single-column-regression", "source_datasets:pm7", "license:cc-by-4.0", "size_categories:1K<n<10K", "format:parquet", "modality:tabular", "modality:text", "library:datasets", "library:pandas", "library:mlcroissant", "library:polars", "region:us", "heat-of-formation", "dipole-moments", "entropy", "energy", "pm7", "crystals", "small-molecules", "organometallics"]
[{"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": "string"}, {"name": "enthalpy-of-formation-units", "dtype": "string"}, {"name": "ionization-energy", "dtype": "float64"}, {"name": "ionization-energy-error", "dtype": "string"}, {"name": "ionization-energy-reference", "dtype": "string"}, {"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"}]