Datasets:

mingxuzhang
/

PubChem_AtomDisc

License:

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train

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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

End of preview.

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