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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 13 new columns ({'a', 'gamma', 'beta', 'No', 'formula', 'spaceGroupNo', 'alpha', 'c', 'spaceGroup', 'crystalSys', 'b', 'dataId', 'symbolSet'}) and 6 missing columns ({' stored in the train/ and val/ directories respectively. ', '__index_level_3__', '__index_level_2__', '__index_level_1__', '__index_level_0__', 'This data archive contains all of our training and validation data'}).
This happened while the csv dataset builder was generating data using
zip://anno_train.csv::hf://datasets/caobin/datasetCPICANN@1619a8699862d308972d54a14e8d6433581ffcec/D1.zip
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 1870, in _prepare_split_single
writer.write_table(table)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 622, 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 2292, in table_cast
return cast_table_to_schema(table, schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2240, in cast_table_to_schema
raise CastError(
datasets.table.CastError: Couldn't cast
dataId: string
No: int64
formula: string
symbolSet: string
spaceGroup: string
spaceGroupNo: int64
crystalSys: int64
a: double
b: double
c: double
alpha: double
beta: double
gamma: double
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1706
to
{'This data archive contains all of our training and validation data': Value(dtype='string', id=None), ' stored in the train/ and val/ directories respectively. ': Value(dtype='string', id=None), '__index_level_0__': Value(dtype='string', id=None), '__index_level_1__': Value(dtype='string', id=None), '__index_level_2__': Value(dtype='string', id=None), '__index_level_3__': Value(dtype='string', id=None)}
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 1415, 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 991, in stream_convert_to_parquet
builder._prepare_split(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1741, 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 1872, 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 13 new columns ({'a', 'gamma', 'beta', 'No', 'formula', 'spaceGroupNo', 'alpha', 'c', 'spaceGroup', 'crystalSys', 'b', 'dataId', 'symbolSet'}) and 6 missing columns ({' stored in the train/ and val/ directories respectively. ', '__index_level_3__', '__index_level_2__', '__index_level_1__', '__index_level_0__', 'This data archive contains all of our training and validation data'}).
This happened while the csv dataset builder was generating data using
zip://anno_train.csv::hf://datasets/caobin/datasetCPICANN@1619a8699862d308972d54a14e8d6433581ffcec/D1.zip
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.
This data archive contains all of our training and validation data
string | stored in the train/ and val/ directories respectively.
string | __index_level_0__
string | __index_level_1__
string | __index_level_2__
string | __index_level_3__
string | dataId
string | No
int64 | formula
string | symbolSet
string | spaceGroup
string | spaceGroupNo
int64 | crystalSys
int64 | a
float64 | b
float64 | c
float64 | alpha
float64 | beta
float64 | gamma
float64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
crystal system
|
space group and lattice constants.
|
Annotations for training and validation data are saved in anno_train.csv and anno_val.csv respectively. The first column of the annotation file is dataId
|
which consists of the COD ID of the original structure and a serial number. The value of dataId column corresponds to the data file name. The second column is the serial number of the original structure
|
which is also the classification annotation. The rest of the columns contains other informations about the structure
|
such as chemical formula
| null | null | null | null | null | null | null | null | null | null | null | null | null |
null | null | null | null | null | null |
1522982_1
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_2
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_3
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_4
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_5
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_6
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_7
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_8
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_9
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_10
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_11
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_12
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_13
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_14
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_15
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_16
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_17
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_18
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_19
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_20
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_21
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_22
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_23
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1522982_24
| 0 |
Mn4 Ni8 Sn4
|
Mn Ni Sn
|
F-43m
| 216 | 0 | 6.05 | 6.05 | 6.05 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_1
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_2
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_3
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_4
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_5
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_6
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_7
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_8
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_9
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_10
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_11
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_12
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_13
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_14
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_15
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_16
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_17
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_18
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_19
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_20
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_21
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_22
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_23
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525299_24
| 1 |
V1 Fe0.9 Co2.1
|
Co Fe V
|
Pm-3m
| 221 | 0 | 3.579 | 3.579 | 3.579 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_1
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_2
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_3
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_4
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_5
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_6
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_7
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_8
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_9
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_10
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_11
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_12
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_13
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_14
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_15
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_16
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_17
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_18
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_19
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_20
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_21
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_22
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_23
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
1525266_24
| 2 |
Ga1 Fe0.5 Co0.5
|
Co Fe Ga
|
Pm-3m
| 221 | 0 | 2.887 | 2.887 | 2.887 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_1
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_2
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_3
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_4
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_5
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_6
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_7
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_8
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_9
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_10
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_11
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_12
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_13
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_14
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_15
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_16
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_17
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_18
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_19
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_20
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_21
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_22
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_23
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
7115402_24
| 3 |
Ag4 C16 N12
|
Ag C N
|
Ima2
| 46 | 2 | 8.047 | 9.871 | 6.261 | 90 | 90 | 90 |
null | null | null | null | null | null |
1011037_1
| 4 |
Co2 S2
|
Co S
|
P6_3/mmc
| 194 | 4 | 3.377 | 3.377 | 5.15 | 90 | 90 | 120 |
null | null | null | null | null | null |
1011037_2
| 4 |
Co2 S2
|
Co S
|
P6_3/mmc
| 194 | 4 | 3.377 | 3.377 | 5.15 | 90 | 90 | 120 |
null | null | null | null | null | null |
1011037_3
| 4 |
Co2 S2
|
Co S
|
P6_3/mmc
| 194 | 4 | 3.377 | 3.377 | 5.15 | 90 | 90 | 120 |
End of preview.
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CPICANN Datasets
This repository contains the data sets described in the CPICANN paper, available at GitHub.
CPICANN is evaluated on four distinguished datasets, denoted as D1, D2, D3, and D4, with the following characteristics:
- D1: 0% background ratio and Gaussian noise (σ=0.25) (v chosen in paper)
- D2: 3% background ratio and Gaussian noise (σ=0.25)
- D3: 0% background ratio and Gaussian noise (σ=1)
- D4: 0% background ratio and Gaussian noise (σ=3)
Contribution and suggestions are always welcome. You can also contact the authors for research collaboration.
📚 Citation & License
Commercial use is strictly prohibited.
All access will be logged.
If you use this dataset in your research, please cite all the following works:
@article{zhang2024crystallographic,
title={Crystallographic phase identifier of a convolutional self-attention neural network (CPICANN) on powder diffraction patterns},
author={Zhang, Shouyang and Cao, Bin and Su, Tianhao and Wu, Yue and Feng, Zhenjie and Xiong, Jie and Zhang, Tong-Yi},
journal={IUCrJ},
volume={11},
number={Pt 4},
pages={634},
year={2024}
}
@inproceedings{binsimxrd,
title={SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystal Symmetry Classification Benchmark},
author={Bin, CAO and Liu, Yang and Zheng, Zinan and Tan, Ruifeng and Li, Jia and Zhang, Tong-yi},
booktitle={The Thirteenth International Conference on Learning Representations}
}
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