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xuan-liu
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awesome-antibiotics

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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 1 new columns ({'NG (1321/ 38650)'}) and 1 missing columns ({'SA (470/ 39390)'}).

This happened while the csv dataset builder was generating data using

hf://datasets/xuan-liu/awesome-antibiotics/neisseria_gonorrhoeae_binarized.csv (at revision af414ae75a8eed4865547bc23a6b2c2645b5441b)

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
              SMILES: string
              NG (1321/ 38650): int64
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 504
              to
              {'SMILES': Value('string'), 'SA (470/ 39390)': 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 1455, 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 1054, 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 1 new columns ({'NG (1321/ 38650)'}) and 1 missing columns ({'SA (470/ 39390)'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/xuan-liu/awesome-antibiotics/neisseria_gonorrhoeae_binarized.csv (at revision af414ae75a8eed4865547bc23a6b2c2645b5441b)
              
              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
SA (470/ 39390)
int64
CCOC(=O)CCN1C=C(F)C(=O)NC1=O
0
O=C/1NC(=S)N\C1=C/c1ccco1
0
CC[C@@H](C)NC=C1C(=O)NC(=O)NC1=O
0
Cc1cc(nc(n1)SCC(=O)NN)NN
0
CN(/N=C/c1ccncc1)C1=NCCN1
0
NNC(=O)[C@H]1C[C@H]2C[C@@H]1C[C@@H]2C(=O)NN
0
CC(C)CN1C(=O)N(C)C(=O)c2[nH]cnc21
0
Nc1c(no[n+]1[O-])C(=O)c1ccccc1
0
NC(=O)CSc1nnnn1-c1ccccc1
0
CC1=CC(=O)n2ncnc2N1CC(=O)NN
0
COC(CNC1=Nc2ncccc2OC1)OC
0
CC(C)NS(=O)(=O)c1c(noc1C)C
0
CC1CCN(CC1)S(=O)(=O)c1c[nH]cn1
0
NC(=O)c1cc2ccccc2nc1C(=O)N
0
CNC(=O)c1ccc(cc1)OC(=O)C
0
Cc1nnnn1CC(=O)Nc1ccc(cc1)F
0
OCCN1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
0
Nc1ccc(cc1)OCC(=O)N1CCOCC1
0
CSC1=NC(=O)C(=NN1)C
0
Cn1nnnc1SCC(=O)NC(C)(C)C
0
NN1C(=S)NN=C1[C@@H](O)c1ccccc1
0
CN1N=C(C(=O)O)c2ccccc2C1=O
0
CN(C)CC#Cc1cncc(c1)C(=O)NN
0
CC(C)(C)NC(=O)C[n+]1cccc(c1)/C=N/O
0
O=C1NN=C(N2CCOCC2)C(=O)N1
0
CCOC(=O)CCC1=NNC(=O)NC1=O
0
CCNC(=S)N1CCC[C@@H](C1)C(=O)N
0
C[C@H]1CCc2c(scc2C(=O)O)C1
0
NC(=S)c1cnc(nc1N)-c1ccncc1
0
Nc1nncn1C(=O)c1ccccc1F
0
CCS(=O)(=O)NCCc1csc(n1)C
0
CCOC(=O)c1snc2c1NC=NC2=O
0
CC(=O)Nc1ccc(cc1)C(=O)NN
0
COc1ccc(cc1)OCCC(=O)NN
0
CCOC(=O)C[C@@H](N)c1cccc(c1)O
0
CCOC(=O)CC(=O)c1ccn(n1)C
0
O=C1CC(=O)N(Cc2ccccc2)C(=O)N1
0
CCOC(=O)c1cc(n(n1)C)C(=O)OCC
0
O=C(COc1ccccc1)N1CCNC1=O
0
C=C[C@H]1CCC=C2[C@@H]1CCCC2=O
0
Nc1ncnc2nc([nH]c12)N1CCCCC1
0
CCOC(=O)/C(=N/NC(=O)C)C
0
O=C1SSC(=C1)c1ccccc1
0
CC1=NN(CC(=O)O)C(=O)c2cccn21
0
COc1nsnc1N1CCOCC1
0
CC1=NN=C(Nc2ccccc2C)N(N)C1=O
0
CC(C)(C)OC(=O)Nc1ccccc1
0
CN(C)CCNC(=O)c1ccccn1
0
Cc1cc(nc(n1)N1CC(=O)NC1=N)C
0
Nc1nnnn1/N=C\C=C\c1ccccc1
0
C[C@H]1NC(=O)N[C@@H]1CCCCC(=O)O
0
CN(C)C(=O)CSc1nnc(s1)N
0
CN1CCN(CC1)C(=O)c1ccc(cc1)N
0
N#Cc1ccc(nc1)N1CCCNCC1
0
Nc1ccc(cc1)C(=O)N1CCOCC1
0
CC(N)(Cc1cccc(c1)O)C(=O)O
0
CNC(=S)Nc1cccc(c1)C(=O)NC
0
OC(=O)CSCC(=O)N1CCCCC1
0
NC1=NC(=O)C[C@H](Cc2ccccc2)N1
0
CCOC1=Nc2ccccc2C(=O)N1CCO
0
COC(=O)c1cnn2c1NC(=CC2=O)C
0
CN(C)S(=O)(=O)c1ccc(cc1)C#N
0
COC(=O)c1cnn2c1NC1=C(CCC1)C2=O
0
CCNc1nc(nc(n1)N(C)C)OCCO
0
COc1ccc(cc1)CN1C=CNC(=O)C1=O
0
CN1C(=O)NC(=O)c2c1ncn2CC=C
0
COC(=O)C1=CC(=O)N2C=CC=CC2=C1C#N
0
CCSC1=C(C#N)C(=O)N[C@@H](CO)S1
0
C(=N/c1nnc2nc[nH]n12)\c1ccco1
0
C1CC[N+]2(C1)CCN(CC2)c1ncccn1
0
OCC1c2ccccc2-c2ccccc21
0
CN1C(=O)N(C)c2ncn(c2C1=O)C=C
0
CC(C)C1=CC(=O)n2nc(nc2N1)N
0
CN(C)CN1C(=O)c2ccccc2C1=O
0
CNC(=O)c1ccc(cc1)N
0
CCNc1nc(nc(n1)N(C)C)OCC=C
0
CN[C@H]1[C@H]2CN3CC[C@@H](O2)[C@@H]13
0
O=C1CSCC(=O)N1c1cccnc1
0
CCCC(=O)C1=C(O)NC(=O)NC1=O
0
NC(=N)/N=C(\N)Nc1ccc(cc1)Cl
0
NC(=O)C/1=Cc2ccccc2O\C1=N/O
0
CN(C)C(=O)OC1=CC(=O)N(C)C(=C1)C
0
CC(=O)Nc1cc2c(cc1N)OCCO2
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Cc1ccc(cc1C)N1NC(=O)/C(=N/O)C1=O
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CCC1=NN(C)C2=C(N(C)N1)C(=O)C2=O
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CC1(C)N=C(N)N=C(N)N1c1ccccc1
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NC(=O)c1cnn2c(c(cnc12)C#N)N
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OC(=O)CNS(=O)(=O)c1ccccc1
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NC(=O)CCN1C(=O)c2ccccc2C1=O
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CSc1nc(cc(n1)OCCO)C
0
CCN1CCC[C@@H]1CN1CNC(=S)NC1
0
OC(=O)CCC(=O)N[C@H]1CCCCNC1=O
0
CC1=CN2[C@H]3C[C@@H](OC2=NC1=O)[C@@H](CO)O3
0
CCn1nnc(n1)NC(=O)Cc1ccccc1
0
End of preview.

AWESOME-ANTIBIOTICS

Dataset on HF

A collection of datasets about antibiotics for machine learning.

Antibiotics:

Name Ref
Staphylococcus_aureus 10.1016/j.cell.2025.07.033
Neisseria_gonorrhoeae 10.1016/j.cell.2025.07.033

Cytotoxicity:

Name Ref
IMR90 10.1016/j.cell.2025.07.033
HSkMC 10.1016/j.cell.2025.07.033
HepG2 10.1016/j.cell.2025.07.033
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