Datasets:

---

solvechemistry

/

catecholbenchmark

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SOLVE Chemistry 1

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 4 new columns ({'SOLVENT SMILES', 'Reaction SMILES', 'SOLVENT Ratio', 'SOLVENT NAME'}) and 10 missing columns ({'SOLVENT B SMILES', 'SOLVENT A Ratio', 'Reaction SMILES A', 'SOLVENT A SMILES', 'SolventB%', 'SOLVENT A NAME', 'SOLVENT B NAME', 'RAMP NUM', 'SOLVENT B Ratio', 'Reaction SMILES B'}).

This happened while the csv dataset builder was generating data using

hf://datasets/solvechemistry/catecholbenchmark/data/catechol_single_solvent_yields.csv (at revision e5f01d8be0ee5d4fa14a4578a05da01d3eae3b6c)

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 "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1831, in _prepare_split_single
                  writer.write_table(table)
                File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 714, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2272, in table_cast
                  return cast_table_to_schema(table, schema)
                         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2218, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              EXP NUM: int64
              Residence Time: double
              Temperature: double
              SM: double
              Product 2: double
              Product 3: double
              SM SMILES: string
              Product 2 SMILES: string
              Product 3 SMILES: string
              SOLVENT NAME: string
              SOLVENT SMILES: string
              SOLVENT Ratio: string
              Reaction SMILES: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1857
              to
              {'EXP NUM': Value('int64'), 'SOLVENT A NAME': Value('string'), 'SOLVENT B NAME': Value('string'), 'SolventB%': Value('float64'), 'Residence Time': Value('float64'), 'Temperature': Value('float64'), 'SM': Value('float64'), 'Product 2': Value('float64'), 'Product 3': Value('float64'), 'SM SMILES': Value('string'), 'Product 2 SMILES': Value('string'), 'Product 3 SMILES': Value('string'), 'SOLVENT A SMILES': Value('string'), 'SOLVENT B SMILES': Value('string'), 'SOLVENT A Ratio': Value('string'), 'SOLVENT B Ratio': Value('string'), 'Reaction SMILES A': Value('string'), 'Reaction SMILES B': Value('string'), 'RAMP NUM': Value('int64')}
              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 1339, 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 972, in convert_to_parquet
                  builder.download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 894, in download_and_prepare
                  self._download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 970, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1702, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1833, 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 4 new columns ({'SOLVENT SMILES', 'Reaction SMILES', 'SOLVENT Ratio', 'SOLVENT NAME'}) and 10 missing columns ({'SOLVENT B SMILES', 'SOLVENT A Ratio', 'Reaction SMILES A', 'SOLVENT A SMILES', 'SolventB%', 'SOLVENT A NAME', 'SOLVENT B NAME', 'RAMP NUM', 'SOLVENT B Ratio', 'Reaction SMILES B'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/solvechemistry/catecholbenchmark/data/catechol_single_solvent_yields.csv (at revision e5f01d8be0ee5d4fa14a4578a05da01d3eae3b6c)
              
              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)