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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 2 new columns ({'index', 'split'}) and 2 missing columns ({'smiles', 'label'}).
This happened while the csv dataset builder was generating data using
hf://datasets/MaciekNowakowski/Filtered_DUD-E_and_DEKOIS/filtered_dekois/17betaHSD1/split_indices.csv (at revision f4874bdb0033a62d4f41d56ee9c9e5431974130e)
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
index: int64
split: string
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 479
to
{'smiles': Value('string'), 'label': 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 1456, 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 1055, in convert_to_parquet
builder.download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 894, in download_and_prepare
self._download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 970, 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 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 2 new columns ({'index', 'split'}) and 2 missing columns ({'smiles', 'label'}).
This happened while the csv dataset builder was generating data using
hf://datasets/MaciekNowakowski/Filtered_DUD-E_and_DEKOIS/filtered_dekois/17betaHSD1/split_indices.csv (at revision f4874bdb0033a62d4f41d56ee9c9e5431974130e)
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)Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
smiles
string | label
string |
|---|---|
Oc1cccc(-c2ccc(-c3ccc(O)c(F)c3)s2)c1
|
active
|
Oc1cccc(-c2ccc3c(-c4ccccc4)c(O)ccc3c2)c1
|
active
|
C[C@]12CC[C@@H]3c4cc(Cl)c(O)cc4CC[C@H]3[C@@H]1C[C@H](F)C2=O
|
active
|
Oc1cccc(-c2ccc(-c3ccc(O)c(C(F)(F)F)c3)s2)c1
|
active
|
Oc1cccc(-c2ccc3c(Br)c(O)ccc3c2)c1
|
active
|
Cc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O
|
active
|
Oc1ccc(-c2cnc(-c3cccc(O)c3)s2)cc1
|
active
|
Oc1cccc(-c2ccc(-c3ccc(F)c(O)c3)cc2)c1
|
active
|
[O-]c1c(F)cc(-c2ccc(-c3cccc(O)c3)s2)cc1F
|
active
|
Cc1cc(-c2csc(-c3cccc(O)c3)c2)ccc1O
|
active
|
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CCC[C@@H]12
|
active
|
Oc1cccc(-c2cc(-c3cccc(O)c3)c(-c3cccc(O)c3)s2)c1
|
active
|
CCOC(=O)/C=C/c1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O
|
active
|
Oc1cccc(-c2nsc(-c3cccc(O)c3)n2)c1
|
active
|
CCCCN(C)C(=O)CCCCCS[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21
|
active
|
Oc1cccc(-c2nnc(-c3cccc(O)c3)nn2)c1
|
active
|
Cc1ccc(S(=O)(=O)NCc2cccc(-c3ccc(-c4cccc(O)c4)s3)c2)cc1
|
active
|
O=C(/C=C/c1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O)Nc1ccccc1
|
active
|
CS(=O)(=O)Nc1cccc(-c2ccc(-c3cccc(O)c3)s2)c1
|
active
|
Oc1cccc(-c2cccc(-c3ccc(Cl)s3)c2)c1
|
active
|
Cc1cc(-c2cccc(O)c2)sc1-c1cccc(O)c1
|
active
|
Cc1cc(O)cc(-c2ccc(-c3ccc(O)cc3)s2)c1
|
active
|
COc1cc2c(cc1O)CC[C@H]1C3=CCC(=O)[C@@]3(C)CC[C@H]21
|
active
|
COc1ccc(-c2ccc(-c3cccc(O)c3)cc2)cn1
|
active
|
Oc1ccc(-c2cn(-c3cccc(O)c3)nn2)cc1
|
active
|
Oc1cccc(-c2cnc(-c3cccc(O)c3)cn2)c1
|
active
|
Oc1cccc(-c2cccc(-c3cc4ccccc4s3)c2)c1
|
active
|
Oc1cccc(-c2cccc(-c3ccc(Cl)s3)n2)c1
|
active
|
Oc1ccc(-c2cc(-c3cccc(O)c3)on2)cc1
|
active
|
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
|
active
|
Clc1nc(Nc2ccc3c(c2)OCO3)c2nc[nH]c2n1
|
decoy
|
Oc1nc2nonc2nc1Nc1cccc(Cl)c1
|
decoy
|
Nc1nccc(-c2nn(-c3ccc(F)cc3)ccc2=O)n1
|
decoy
|
Nc1cc(N2CCCCCC2)c2nonc2c1[N+](=O)[O-]
|
decoy
|
Cc1cc(C)c2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1
|
decoy
|
CNC(=O)c1nnn2c1nc(O)c1c(C)c(C)sc12
|
decoy
|
Cc1ccc2[nH]c(C(=O)NC3=NCCS3)cc(=O)c2c1
|
decoy
|
Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)c1
|
decoy
|
O=C1N[C@@](O)(c2ccc([N+](=O)[O-])cc2)c2ccccc21
|
decoy
|
COc1ccc(-c2ccnc3[nH]c(=O)[nH]c(=O)c23)cc1
|
decoy
|
N#Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
|
decoy
|
CCc1cc(O)n2nc(NCc3cccs3)nc2n1
|
decoy
|
Cc1cc(C)c(/C=N/Nc2nnc(C)c(=O)[nH]2)c(C)c1
|
decoy
|
Cc1cnc(NC(=O)c2n[nH]c(=O)c3ccccc23)s1
|
decoy
|
Cc1c(NC(=O)c2cc(Cl)c[nH]2)cccc1[N+](=O)[O-]
|
decoy
|
O=C(NC(=O)c1csnn1)Nc1ccc(F)c(Cl)c1
|
decoy
|
Cc1ccc(Nc2nc3c([n-]2)c(=O)n(C)c(=O)n3C)cc1C
|
decoy
|
O=C(Nc1ccccc1O)c1nc2ccccc2oc1=O
|
decoy
|
CC(C)(C)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1
|
decoy
|
CCOC(=O)c1cnc2c(ccc3cc(O)cnc32)c1O
|
decoy
|
Cc1ccc(C(=O)N/C(=N/O)n2nnc3ccccc32)cc1
|
decoy
|
Cc1cc(C)cc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1
|
decoy
|
Cc1ccc(-c2c(C)sc3ncnc(Nc4ccc(N)cc4)c23)cc1C
|
decoy
|
Cc1ccc(NNC(=O)c2cc3c(C)cc(C)c(C)c3[nH]2)cc1Cl
|
decoy
|
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1-c1cc2ccccc2[nH]1
|
decoy
|
Cc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
|
decoy
|
CSc1ccc(NC(=O)c2cc3c4c(sc3nc2N)CCC4)cc1
|
decoy
|
C[C@@H]1CCC[C@H](C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)C1=O
|
decoy
|
O=C(Nc1cc(C2CCCCC2)ccc1O)Nc1cccc2ccccc12
|
decoy
|
Cc1[nH]c2ccc(Cl)cc2c1-c1csc(N[C@@H]2CCC[C@@H](C)C2)n1
|
decoy
|
Cc1cccc2c1N[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)NC2=O
|
decoy
|
Cc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(N4CCCC4)c(C)c3)c2c1
|
decoy
|
Cc1nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2c(C)c1C
|
decoy
|
Cc1sc(NC(=O)NNc2ccc(Cl)cc2Cl)c(C#N)c1C
|
decoy
|
CC(C)(C#N)c1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1
|
decoy
|
Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1Cl)CCCCC2
|
decoy
|
Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1
|
decoy
|
C[C@@H]1CCc2c(sc(Nc3nc4c(F)cccc4s3)c2C(N)=O)C1
|
decoy
|
Cc1ccsc1[C@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@H]21
|
decoy
|
Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)sc1C
|
decoy
|
Nc1[nH+]c2cc(Cl)c(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1
|
decoy
|
Cc1ccc(NC(=O)c2sc(=S)n(-c3ccc(C)cc3)c2N)cc1
|
decoy
|
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc[nH]2)N3)C1
|
decoy
|
Nc1c(Cl)cc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1Cl
|
decoy
|
Cc1cc(C)cc(-n2ccnc2SCc2nc(N)c3ccccc3n2)c1
|
decoy
|
Cc1[nH]c2ccc(C(=O)N[C@H](c3ccccc3)c3cccs3)cc2c1C
|
decoy
|
CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])c2cc[nH]c2c1
|
decoy
|
CCC(=O)Nc1ccc2nc3c(=O)[nH]c(=S)[n-]c3nc2c1
|
decoy
|
NC(=O)c1c([N-]C(=O)c2csnn2)sc2c1CCC2
|
decoy
|
Nc1c(/C=N/[O-])ccc2c1C(=O)c1ccccc1C2=O
|
decoy
|
Nc1cc(C(=O)[O-])ccc1/N=C/c1ccc2c(c1)OCO2
|
decoy
|
COc1cc(O)c2c(=O)c3cc(O)c(O)cc3oc2c1
|
decoy
|
O=C(Nc1ccccn1)c1c(O)nc2c(c1[O-])CCCC2
|
decoy
|
Cc1ccc(-n2c(=O)[nH]c(=O)c3sc(N)nc32)cc1C
|
decoy
|
Cn1cc(O)[nH]/c1=N\C(=O)c1cc(Cl)ccc1[O-]
|
decoy
|
Cc1sc2nc(CCC(=O)[O-])nc(N)c2c1C
|
decoy
|
Nc1ccc(C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-]
|
decoy
|
COc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])s1)N2
|
decoy
|
CC1(C)CC(=O)C(=C(N)n2nnc3ccccc32)C(=O)C1
|
decoy
|
Nc1nc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)n[n-]1
|
decoy
|
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N)cc1
|
decoy
|
CN1C(c2ccccc2)=C[C@H](c2ccccc2)n2nc(N)nc21
|
decoy
|
Nc1ccn(COc2c(Cl)cc(Cl)cc2Cl)n1
|
decoy
|
Nc1nc(CCl)nc2sc3c(c12)CCCC3
|
decoy
|
Cc1c(C2=NN[C@@](O)(C(F)(F)F)C2)sc2ccccc12
|
decoy
|
Cc1cc(C)c(/C=C/c2noc(C)c2N)c(C)c1
|
decoy
|
O/N=C1\CC/C=C\CC[C@H]1Sc1nc2ccccc2[nH]1
|
decoy
|
Cn1cccc1[C@@H]1NC(=O)c2c(sc3c2CCCC3)N1
|
decoy
|
Cc1ccc2c(c1)N[C@@H]([C@H]1Nc3cc(C)ccc3O1)O2
|
decoy
|
Cc1[nH]c2ccc(C(=O)NOCc3ccccc3)cc2c1C
|
decoy
|
End of preview.
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