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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 ({'TOKENS', 'N_ATOMS', 'ATOM_SYMBOLS'}) and 1 missing columns ({'Unnamed: 0'}).
This happened while the csv dataset builder was generating data using
hf://datasets/mingxuzhang/PubChem_AtomDisc/CID2SMILES_special_tokens.csv (at revision fc3f7b77dcee5dddabdcc3c53ad3e31b527394f6)
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
CID: int64
SMILES: string
TOKENS: string
N_ATOMS: int64
ATOM_SYMBOLS: string
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 825
to
{'Unnamed: 0': Value('int64'), 'CID': Value('int64'), 'SMILES': 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 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 3 new columns ({'TOKENS', 'N_ATOMS', 'ATOM_SYMBOLS'}) and 1 missing columns ({'Unnamed: 0'}).
This happened while the csv dataset builder was generating data using
hf://datasets/mingxuzhang/PubChem_AtomDisc/CID2SMILES_special_tokens.csv (at revision fc3f7b77dcee5dddabdcc3c53ad3e31b527394f6)
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.
Unnamed: 0
int64 | CID
int64 | SMILES
string |
|---|---|---|
0
| 1
|
CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
|
1
| 3
|
O=C(O)C1=CC=CC(O)C1O
|
2
| 4
|
CC(O)CN
|
3
| 5
|
NCC(=O)COP(=O)(O)O
|
4
| 6
|
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
|
5
| 7
|
CCn1cnc2c(N)ncnc21
|
6
| 8
|
CCC(C)(O)C(O)C(=O)O
|
7
| 11
|
ClCCCl
|
8
| 12
|
Oc1cc(O)c(O)c(O)c1
|
9
| 13
|
Clc1ccc(Cl)c(Cl)c1
|
10
| 15
|
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O
|
11
| 16
|
O=C1CCCCCNC(=O)CCCCCN1
|
12
| 17
|
O=C(O)C1=NC(C(=O)O)CC=C1
|
13
| 19
|
O=C(O)c1cccc(O)c1O
|
14
| 20
|
O=C(O)CCc1cccc(O)c1O
|
15
| 21
|
CCC(O)(C(C)=O)C(=O)O
|
16
| 22
|
CC(=O)C(C)(O)C(=O)O
|
17
| 28
|
NC(=CC=CC(=O)O)C(=O)O
|
18
| 29
|
NC(C=O)C(=O)O
|
19
| 30
|
NC(=CC=CC=O)C(=O)O
|
20
| 33
|
O=CCCl
|
21
| 34
|
OCCCl
|
22
| 35
|
O=C(O)CC1(Cl)C=CC(=O)O1
|
23
| 36
|
CC(C)C(C(=O)O)C(O)C(=O)O
|
24
| 37
|
O=C(O)C(=O)CC(O)C(O)CO
|
25
| 38
|
CC(C)(CO)C(=O)C(=O)O
|
26
| 39
|
CC1(C)COC(=O)C1=O
|
27
| 43
|
O=C(O)CCC(O)C(=O)O
|
28
| 44
|
O=C([O-])C(O)C(=O)[O-]
|
29
| 45
|
O=C(O)C(O)C(=O)O
|
30
| 47
|
CCC(C)C(=O)C(=O)O
|
31
| 48
|
NC(=O)CCC(=O)C(=O)O
|
32
| 49
|
CC(C)C(=O)C(=O)O
|
33
| 50
|
O=C(O)C(=O)C(O)C(O)C(O)CO
|
34
| 51
|
O=C(O)CCC(=O)C(=O)O
|
35
| 53
|
CC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
|
36
| 54
|
CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
|
37
| 58
|
CCC(=O)C(=O)O
|
38
| 59
|
O=C(O)C(CO)OP(=O)(O)O
|
39
| 61
|
O=C(O)C(COP(=O)(O)O)OP(=O)(O)O
|
40
| 62
|
OC1C=C(Cl)C(Cl)C=C1Cl
|
41
| 63
|
CC(N)CC(N)C(=O)O
|
42
| 64
|
OC1C=C(Cl)C(O)C=C1Cl
|
43
| 65
|
Oc1cc(Cl)c(O)cc1Cl
|
44
| 66
|
Oc1cc(Cl)ccc1Cl
|
45
| 68
|
CC1(CO)OP(=O)(O)OP(=O)(O)OCC1O
|
46
| 69
|
CC(=O)C=CC=C(O)C(=O)O
|
47
| 70
|
CC(C)CC(=O)C(=O)O
|
48
| 71
|
O=C(O)CCCC(=O)C(=O)O
|
49
| 72
|
O=C(O)c1ccc(O)c(O)c1
|
50
| 75
|
NCCC=O
|
51
| 76
|
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O
|
52
| 77
|
CC(C)C(O)(CC(=O)O)C(=O)O
|
53
| 78
|
NC(CCl)C(=O)O
|
54
| 79
|
N#Cc1cccnc1
|
55
| 80
|
O=C(O)C1=CC(=O)C(O)C(O)C1
|
56
| 81
|
O=C(O)C(=O)CC(O)C(O)C(O)COP(=O)(O)O
|
57
| 84
|
CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
|
58
| 85
|
C[N+](C)(C)CC(O)CC(=O)O
|
59
| 86
|
Nc1c(O)cccc1C(=O)O
|
60
| 87
|
CC(CO)C(=O)O
|
61
| 88
|
CC(CO)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
|
62
| 89
|
Nc1c(O)cccc1C(=O)CC(N)C(=O)O
|
63
| 90
|
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCC(=O)O
|
64
| 91
|
O=C(O)CCc1cccc(O)c1
|
65
| 93
|
O=C(O)CCC(=O)CC(=O)O
|
66
| 96
|
CC(=O)CC(=O)O
|
67
| 98
|
O=C(O)C(=O)CS
|
68
| 101
|
O=Cc1cccc(O)c1
|
69
| 102
|
OCc1cccc(O)c1
|
70
| 104
|
O=C(O)CC1=CCC(=O)O1
|
71
| 105
|
O=C(O)C(=O)COP(=O)(O)O
|
72
| 106
|
NC(COP(=O)(O)O)C(=O)O
|
73
| 107
|
O=C(O)CCc1ccccc1
|
74
| 108
|
O=C(O)Cc1cccnc1
|
75
| 109
|
NC(CS(=O)O)C(=O)O
|
76
| 110
|
O=C(O)C(=O)CS(=O)O
|
77
| 111
|
NC(=O)NCCC(=O)O
|
78
| 114
|
O=C(O)CCCc1cccnc1
|
79
| 116
|
C=C(OC1C=C(C(=O)O)C=CC1N)C(=O)O
|
80
| 117
|
Nc1nc[nH]c1C(=O)O
|
81
| 118
|
NCCCC=O
|
82
| 119
|
NCCCC(=O)O
|
83
| 123
|
NC(=O)CCCN=C(N)N
|
84
| 124
|
CC(O)CC(=O)C(=O)O
|
85
| 125
|
OCc1ccc(O)cc1
|
86
| 126
|
O=Cc1ccc(O)cc1
|
87
| 127
|
O=C(O)Cc1ccc(O)cc1
|
88
| 128
|
O=C(O)CCC1N=CNC1=O
|
89
| 129
|
CC(C)CCC=O
|
90
| 130
|
O=C(O)CC(O)(CC(=O)C(=O)O)C(=O)O
|
91
| 133
|
C[N+](C)(C)CCCC=O
|
92
| 134
|
C[N+](C)(C)CCCC(=O)O
|
93
| 135
|
O=C(O)c1ccc(O)cc1
|
94
| 137
|
NCC(=O)CCC(=O)O
|
95
| 138
|
NCCCCC(=O)O
|
96
| 140
|
CC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
|
97
| 144
|
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O
|
98
| 149
|
CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
|
99
| 150
|
NC1OC(COP(=O)(O)O)C(O)C1O
|
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