Datasets:

kjappelbaum

/

chemnlp-inverse

like 0

Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 1 new columns ({'toxicity_SR-ATAD5'}) and 1 missing columns ({'toxicity_NR-AR'}).

This happened while the csv dataset builder was generating data using

hf://datasets/kjappelbaum/chemnlp-inverse/data_clean_2.csv (at revision efca9f75c3eaaf2f4eb5339eb12f2a72aaa036a2)

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2011, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 585, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2302, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2256, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              compound_name: string
              SMILES: string
              aqeuous_solubility: double
              split_x: string
              compound_id: string
              toxicity_SR-ATAD5: int64
              split_y: string
              carboxyl_count: int64
              carbonyl_count: int64
              ether_count: int64
              alkanol_count: int64
              thiol_count: int64
              halogen_count: int64
              amine_count: int64
              amide_count: int64
              ketone_count: int64
              num_valence_electrons: int64
              molecular_formula: string
              monoisotopic_molecular_mass: double
              carbon_mass: double
              hydrogen_mass: double
              nitrogen_mass: double
              oxygen_mass: double
              num_carbon_atoms: int64
              num_hydrogen_atoms: int64
              num_nitrogen_atoms: int64
              num_oxygen_atoms: int64
              carbon_mass_ratio: double
              hydrogen_mass_ratio: double
              nitrogen_mass_ratio: double
              oxygen_mass_ratio: double
              num_hydrogen_bond_acceptors: int64
              num_hydrogen_bond_donors: int64
              num_lipinski_violations: int64
              num_chiral_centers: int64
              split: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 4893
              to
              {'compound_name': Value(dtype='string', id=None), 'SMILES': Value(dtype='string', id=None), 'aqeuous_solubility': Value(dtype='float64', id=None), 'split_x': Value(dtype='string', id=None), 'compound_id': Value(dtype='string', id=None), 'toxicity_NR-AR': Value(dtype='int64', id=None), 'split_y': Value(dtype='string', id=None), 'carboxyl_count': Value(dtype='int64', id=None), 'carbonyl_count': Value(dtype='int64', id=None), 'ether_count': Value(dtype='int64', id=None), 'alkanol_count': Value(dtype='int64', id=None), 'thiol_count': Value(dtype='int64', id=None), 'halogen_count': Value(dtype='int64', id=None), 'amine_count': Value(dtype='int64', id=None), 'amide_count': Value(dtype='int64', id=None), 'ketone_count': Value(dtype='int64', id=None), 'num_valence_electrons': Value(dtype='int64', id=None), 'molecular_formula': Value(dtype='string', id=None), 'monoisotopic_molecular_mass': Value(dtype='float64', id=None), 'carbon_mass': Value(dtype='float64', id=None), 'hydrogen_mass': Value(dtype='float64', id=None), 'nitrogen_mass': Value(dtype='float64', id=None), 'oxygen_mass': Value(dtype='float64', id=None), 'num_carbon_atoms': Value(dtype='int64', id=None), 'num_hydrogen_atoms': Value(dtype='int64', id=None), 'num_nitrogen_atoms': Value(dtype='int64', id=None), 'num_oxygen_atoms': Value(dtype='int64', id=None), 'carbon_mass_ratio': Value(dtype='float64', id=None), 'hydrogen_mass_ratio': Value(dtype='float64', id=None), 'nitrogen_mass_ratio': Value(dtype='float64', id=None), 'oxygen_mass_ratio': Value(dtype='float64', id=None), 'num_hydrogen_bond_acceptors': Value(dtype='int64', id=None), 'num_hydrogen_bond_donors': Value(dtype='int64', id=None), 'num_lipinski_violations': Value(dtype='int64', id=None), 'num_chiral_centers': Value(dtype='int64', id=None), 'split': Value(dtype='string', id=None)}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1323, in compute_config_parquet_and_info_response
                  parquet_operations = convert_to_parquet(builder)
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 938, in convert_to_parquet
                  builder.download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1027, in download_and_prepare
                  self._download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1122, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1882, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2013, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 1 new columns ({'toxicity_SR-ATAD5'}) and 1 missing columns ({'toxicity_NR-AR'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/kjappelbaum/chemnlp-inverse/data_clean_2.csv (at revision efca9f75c3eaaf2f4eb5339eb12f2a72aaa036a2)
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)