Datasets:
zhiyuanyan1
/
multi-spec-elucidation

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The dataset generation failed because of a cast error
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 3 new columns ({'ring_count', 'formula_group', 'molecular_weight'}) and 27 missing columns ({'Alkene_C', 'aldehyde_count', 'Alkyl_H', 'amine_primary_count', 'Aromatic_H', 'Has_Alkene', 'H_count', 'amine_secondary_count', 'ketone_count', 'Alkyne_C', 'Secondary_C', 'Has_Heterocycle', 'Alkenyl_H', 'nitrile_count', 'ether_count', 'amine_tertiary_count', 'amide_count', 'formula', 'Primary_C', 'alcohol_count', 'Tertiary_C', 'C_N_C', 'Has_Benzene', 'Carbonyl_C', 'Cyano_C', 'ester_count', 'Hetero_H'}).

This happened while the csv dataset builder was generating data using

hf://datasets/zhiyuanyan1/multi-spec-elucidation/qm9_all_raw_spe/dataset_split/ring/train.csv (at revision 86aeba5858de032256bc849f9e4bd597ba0cb290)

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 1831, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 644, 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 2272, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2218, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              smiles: string
              id: int64
              ring_count: int64
              C_count: double
              N_count: double
              O_count: double
              F_count: double
              molecular_weight: double
              formula_group: int64
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1309
              to
              {'smiles': Value('string'), 'id': Value('int64'), 'H_count': Value('int64'), 'C_count': Value('int64'), 'N_count': Value('int64'), 'O_count': Value('int64'), 'F_count': Value('int64'), 'Alkyl_H': Value('int64'), 'Alkenyl_H': Value('int64'), 'Aromatic_H': Value('int64'), 'Hetero_H': Value('int64'), 'Primary_C': Value('int64'), 'Secondary_C': Value('int64'), 'Tertiary_C': Value('int64'), 'Alkene_C': Value('int64'), 'Alkyne_C': Value('int64'), 'Cyano_C': Value('int64'), 'Carbonyl_C': Value('int64'), 'C_N_C': Value('int64'), 'Has_Benzene': Value('int64'), 'Has_Heterocycle': Value('int64'), 'Has_Alkene': Value('int64'), 'alcohol_count': Value('int64'), 'aldehyde_count': Value('int64'), 'ketone_count': Value('int64'), 'amine_primary_count': Value('int64'), 'amine_secondary_count': Value('int64'), 'amine_tertiary_count': Value('int64'), 'amide_count': Value('int64'), 'ester_count': Value('int64'), 'ether_count': Value('int64'), 'nitrile_count': Value('int64'), 'formula': Value('string')}
              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 1451, in compute_config_parquet_and_info_response
                  parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 994, in stream_convert_to_parquet
                  builder._prepare_split(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1702, 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 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 3 new columns ({'ring_count', 'formula_group', 'molecular_weight'}) and 27 missing columns ({'Alkene_C', 'aldehyde_count', 'Alkyl_H', 'amine_primary_count', 'Aromatic_H', 'Has_Alkene', 'H_count', 'amine_secondary_count', 'ketone_count', 'Alkyne_C', 'Secondary_C', 'Has_Heterocycle', 'Alkenyl_H', 'nitrile_count', 'ether_count', 'amine_tertiary_count', 'amide_count', 'formula', 'Primary_C', 'alcohol_count', 'Tertiary_C', 'C_N_C', 'Has_Benzene', 'Carbonyl_C', 'Cyano_C', 'ester_count', 'Hetero_H'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/zhiyuanyan1/multi-spec-elucidation/qm9_all_raw_spe/dataset_split/ring/train.csv (at revision 86aeba5858de032256bc849f9e4bd597ba0cb290)
              
              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)

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smiles
string
id
int64
H_count
int64
C_count
int64
N_count
int64
O_count
int64
F_count
int64
Alkyl_H
int64
Alkenyl_H
int64
Aromatic_H
int64
Hetero_H
int64
Primary_C
int64
Secondary_C
int64
Tertiary_C
int64
Alkene_C
int64
Alkyne_C
int64
Cyano_C
int64
Carbonyl_C
int64
C_N_C
int64
Has_Benzene
int64
Has_Heterocycle
int64
Has_Alkene
int64
alcohol_count
int64
aldehyde_count
int64
ketone_count
int64
amine_primary_count
int64
amine_secondary_count
int64
amine_tertiary_count
int64
amide_count
int64
ester_count
int64
ether_count
int64
nitrile_count
int64
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5
4
3
2
0
0
0
1
4
0
0
0
0
0
0
1
0
0
1
0
1
0
0
1
0
0
0
0
0
0
C4H5N3O2
OC1C2N=COCC12O
76,807
7
5
1
3
0
4
1
0
2
1
2
1
0
0
0
0
1
0
1
0
2
0
0
0
0
0
0
0
1
0
C5H7NO3
COC(CC(N)=O)C#N
98,340
8
5
2
2
0
6
0
0
2
0
2
0
0
0
1
1
0
0
0
0
0
0
1
1
0
0
1
0
1
1
C5H8N2O2
CC1NC2C(C#N)C12N
86,902
9
6
3
0
0
6
0
0
3
1
2
2
0
0
1
0
0
0
1
0
0
0
0
1
4
3
0
0
0
1
C6H9N3
NC1=CC(=N)OC2CC12
70,911
8
6
2
1
0
4
1
0
3
0
2
1
2
0
0
0
1
0
1
1
0
0
0
1
0
0
0
0
1
0
C6H8N2O
CC12OC3C1C2CC3=O
68,207
8
7
0
2
0
8
0
0
0
1
2
3
0
0
0
1
0
0
1
0
0
0
2
0
0
0
0
0
1
0
C7H8O2
CCC1CC1CCC=O
109,935
14
8
0
1
0
13
1
0
0
1
4
2
0
0
0
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
C8H14O
C1C2CN3C4COC12C34
36,424
9
7
1
1
0
9
0
0
0
2
3
2
0
0
0
0
0
0
1
0
0
0
0
0
0
7
0
0
1
0
C7H9NO
CC(C)C1OC2CC2O1
56,488
12
7
0
2
0
12
0
0
0
3
3
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
2
0
C7H12O2
NC(=O)NCCCC=O
53,354
10
5
2
2
0
6
1
0
3
1
2
0
0
0
0
2
0
0
0
0
0
1
1
1
1
1
0
0
0
0
C5H10N2O2
O=CCCCC=O
2,496
8
5
0
2
0
6
2
0
0
0
3
0
0
0
0
2
0
0
0
0
0
2
2
0
0
0
0
0
0
0
C5H8O2
OC1C=CCOC1C#C
81,508
8
7
0
2
0
4
2
0
1
1
2
0
2
2
0
0
0
0
1
1
1
0
0
0
0
0
0
0
1
0
C7H8O2
CC1(C)CC(C)(C)O1
5,439
14
7
0
1
0
14
0
0
0
4
1
2
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
C7H14O
N=CNC1=NC=CN=N1
124,226
5
4
5
0
0
0
1
2
2
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
C4H5N5
CC(C)OC(=O)C(N)=O
56,766
9
5
1
3
0
7
0
0
2
2
1
0
0
0
0
2
0
0
0
0
0
0
2
1
0
0
1
1
1
0
C5H9NO3
O=C1CCN2N=CN=C12
125,320
5
5
3
1
0
4
0
1
0
1
1
0
0
0
0
1
0
0
1
0
0
0
2
0
0
0
0
0
0
0
C5H5N3O
CC1=C(CO)OC(N)=C1
28,908
9
6
1
2
0
5
0
1
3
2
0
0
0
0
0
0
0
0
1
0
1
0
0
1
0
0
0
0
0
0
C6H9NO2
COC12CC1OC(C)C2
103,426
12
7
0
2
0
12
0
0
0
1
4
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
2
0
C7H12O2
CNC(C)C#N
350
8
4
2
0
0
7
0
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
0
2
2
0
0
0
1
C4H8N2
CC(O)C(C)C1CCO1
55,206
14
7
0
2
0
13
0
0
1
3
3
1
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
0
1
0
C7H14O2
OCC1=CCC(=O)C1O
105,123
8
6
0
3
0
5
1
0
2
1
2
0
2
0
0
1
0
0
0
1
2
0
2
0
0
0
0
0
0
0
C6H8O3
OCC1=NCC(O)CO1
105,181
9
5
1
3
0
7
0
0
2
3
1
0
0
0
0
0
1
0
1
0
2
0
0
0
0
0
0
0
1
0
C5H9NO3
OC1C(=O)C=CC11CO1
72,455
6
6
0
3
0
3
2
0
1
1
1
1
2
0
0
1
0
0
1
1
1
0
2
0
0
0
0
0
1
0
C6H6O3
CC#CC1C(C)CC1=O
50,667
10
8
0
1
0
10
0
0
0
2
1
2
0
2
0
1
0
0
0
0
0
0
2
0
0
0
0
0
0
0
C8H10O
CC1C2C(C)C(=O)N12
15,829
9
6
1
1
0
9
0
0
0
2
2
1
0
0
0
1
0
0
1
0
0
0
1
0
0
6
1
0
0
0
C6H9NO
CCC1=NN2CCC2=N1
121,742
9
6
3
0
0
9
0
0
0
2
2
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
C6H9N3
CC1(C)CC2CC2C1O
78,916
14
8
0
1
0
13
0
0
1
2
3
2
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
C8H14O
C1C2C3C1N1CC3=CC21
35,345
9
8
1
0
0
8
1
0
0
1
3
2
2
0
0
0
0
0
1
1
0
0
0
0
0
10
0
0
0
0
C8H9N
CC1CC2CC2(C)CO1
91,155
14
8
0
1
0
14
0
0
0
3
3
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
C8H14O
CC1NC(CC1=O)C#N
83,397
8
6
2
1
0
7
0
0
1
1
3
0
0
0
1
1
0
0
1
0
0
0
2
0
4
4
0
0
0
1
C6H8N2O
CC(=O)OC1=NNC=N1
119,926
5
4
3
2
0
3
0
1
1
1
0
0
0
0
0
1
0
0
1
0
0
0
1
0
0
0
0
1
1
0
C4H5N3O2
COC1(CN2CC12)C=O
101,383
9
6
1
2
0
8
1
0
0
2
1
1
0
0
0
1
0
0
1
0
0
1
1
0
0
4
0
0
1
0
C6H9NO2
CC1C(NC=O)C1C#N
73,931
8
6
2
1
0
6
1
0
1
1
1
2
0
0
1
1
0
0
0
0
0
0
0
0
2
2
0
0
0
1
C6H8N2O
O=C1CN2C(CC#N)C12
41,903
6
6
2
1
0
6
0
0
0
1
3
0
0
0
1
1
0
0
1
0
0
0
2
0
0
6
0
0
0
1
C6H6N2O
OCC12N=COC1C2O
102,249
7
5
1
3
0
4
1
0
2
1
2
1
0
0
0
0
1
0
1
0
2
0
0
0
0
0
0
0
1
0
C5H7NO3
CC1C2C(=O)C(O)C12C
74,415
10
7
0
2
0
9
0
0
1
2
1
2
0
0
0
1
0
0
0
0
1
0
2
0
0
0
0
0
0
0
C7H10O2
CC1(C=O)C2C3CC3N12
61,332
9
7
1
1
0
8
1
0
0
1
3
2
0
0
0
1
0
0
1
0
0
1
1
0
0
10
0
0
0
0
C7H9NO
NC1=CC=C(F)OC1=N
126,901
5
5
2
1
1
0
0
2
3
0
0
0
0
0
0
0
1
0
1
0
0
0
0
1
0
0
0
0
0
0
C5H5FN2O
CC1=CC(O)C(O)C1
7,403
10
6
0
2
0
7
1
0
2
1
3
0
2
0
0
0
0
0
0
1
2
0
0
0
0
0
0
0
0
0
C6H10O2
OC12CC1CNC2C#N
67,417
8
6
2
1
0
6
0
0
2
1
2
2
0
0
1
0
0
0
1
0
1
0
0
0
3
3
0
0
0
1
C6H8N2O
CC12CC(C1)CN=CO2
65,212
11
7
1
1
0
10
1
0
0
2
2
2
0
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
1
0
C7H11NO
CC12CCC1C(=O)C=C2
69,544
10
8
0
1
0
8
2
0
0
1
2
1
2
0
0
1
0
0
0
1
0
0
2
0
0
0
0
0
0
0
C8H10O
CC(C)C1OCC2OC12
56,632
12
7
0
2
0
12
0
0
0
3
3
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
2
0
C7H12O2
OCC1(O)CNC1C#C
100,323
9
6
1
2
0
5
0
0
3
2
1
1
0
2
0
0
0
0
1
0
2
0
0
0
3
2
0
0
0
0
C6H9NO2
OC1CCC(O)C1C#N
90,367
9
6
1
2
0
7
0
0
2
0
4
1
0
0
1
0
0
0
0
0
2
0
0
0
0
0
0
0
0
1
C6H9NO2
CC1(CC#C)CC1C#C
61,477
10
9
0
0
0
8
0
0
0
1
2
1
0
4
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
C9H10
CCC1(CN1C)C#CC
101,217
13
8
1
0
0
13
0
0
0
3
1
1
0
2
0
0
0
0
1
0
0
0
0
0
0
5
0
0
0
0
C8H13N
OC1CN2CC12C#N
15,549
6
5
2
1
0
5
0
0
1
2
1
1
0
0
1
0
0
0
1
0
1
0
0
0
0
6
0
0
0
1
C5H6N2O
O=C1CCC2OC3C2C13
44,659
8
7
0
2
0
8
0
0
0
0
4
2
0
0
0
1
0
0
1
0
0
0
2
0
0
0
0
0
1
0
C7H8O2
End of preview.