The dataset viewer is not available for this split.
Error code: StreamingRowsError
Exception: OSError
Message: Couldn't deserialize thrift: TProtocolException: Invalid data
Deserializing page header failed.
Traceback: Traceback (most recent call last):
File "/src/services/worker/src/worker/utils.py", line 99, in get_rows_or_raise
return get_rows(
^^^^^^^^^
File "/src/libs/libcommon/src/libcommon/utils.py", line 272, in decorator
return func(*args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/src/worker/utils.py", line 77, in get_rows
rows_plus_one = list(itertools.islice(ds, rows_max_number + 1))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/.venv/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 2431, in __iter__
for key, example in ex_iterable:
^^^^^^^^^^^
File "/src/services/worker/.venv/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 1952, in __iter__
for key, pa_table in self._iter_arrow():
^^^^^^^^^^^^^^^^^^
File "/src/services/worker/.venv/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 1975, in _iter_arrow
for key, pa_table in self.ex_iterable._iter_arrow():
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/.venv/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 503, in _iter_arrow
for key, pa_table in iterator:
^^^^^^^^
File "/src/services/worker/.venv/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 350, in _iter_arrow
for key, pa_table in self.generate_tables_fn(**gen_kwags):
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/.venv/lib/python3.12/site-packages/datasets/packaged_modules/parquet/parquet.py", line 93, in _generate_tables
for batch_idx, record_batch in enumerate(
^^^^^^^^^^
File "pyarrow/_dataset.pyx", line 3904, in _iterator
File "pyarrow/_dataset.pyx", line 3494, in pyarrow._dataset.TaggedRecordBatchIterator.__next__
File "pyarrow/error.pxi", line 155, in pyarrow.lib.pyarrow_internal_check_status
File "pyarrow/error.pxi", line 92, in pyarrow.lib.check_status
OSError: Couldn't deserialize thrift: TProtocolException: Invalid data
Deserializing page header failed.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.
Cite this dataset
Song, K., Zhao, R., Liu, J., Wang, Y., Lindgren, E., Wang, Y., Chen, S., Xu, K., Liang, T., Ying, P., Xu, N., Zhao, Z., Shi, J., Wang, J., Lyu, S., Zeng, Z., Liang, S., Dong, H., Sun, L., Chen, Y., Zhang, Z., Guo, W., Qian, P., Sun, J., Erhart, P., Ala-Nissila, T., Su, Y., and Fan, Z. UNEP v1 2023 train. ColabFit, 2023. https://doi.org/10.60732/23c88dd7
Cite this dataset
Song, K., Zhao, R., Liu, J., Wang, Y., Lindgren, E., Wang, Y., Chen, S., Xu, K., Liang, T., Ying, P., Xu, N., Zhao, Z., Shi, J., Wang, J., Lyu, S., Zeng, Z., Liang, S., Dong, H., Sun, L., Chen, Y., Zhang, Z., Guo, W., Qian, P., Sun, J., Erhart, P., Ala-Nissila, T., Su, Y., and Fan, Z. UNEP v1 2023 train. ColabFit, 2023. https://doi.org/10.60732/23c88dd7This dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange:
https://materials.colabfit.org/id/DS_14h4rvviya0k_0
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Dataset Name
UNEP v1 2023 train
Description
The training set for UNEP-v1 (version 1 of Unified NeuroEvolution Potential), a model implemented in GPUMD.
Dataset authors
Keke Song, Rui Zhao, Jiahui Liu, Yanzhou Wang, Eric Lindgren, Yong Wang, Shunda Chen, Ke Xu, Ting Liang, Penghua Ying, Nan Xu, Zhiqiang Zhao, Jiuyang Shi, Junjie Wang, Shuang Lyu, Zezhu Zeng, Shirong Liang, Haikuan Dong, Ligang Sun, Yue Chen, Zhuhua Zhang, Wanlin Guo, Ping Qian, Jian Sun, Paul Erhart, Tapio Ala-Nissila, Yanjing Su, Zheyong Fan
Publication
https://doi.org/10.1038/s41467-024-54554-x
Original data link
https://zenodo.org/doi/10.5281/zenodo.10081676
License
CC-BY-4.0
Number of unique molecular configurations
104799
Number of atoms
6840534
Elements included
Ag, Al, Au, Cr, Cu, Mg, Mo, Ni, Pb, Pd, Pt, Ta, Ti, V, W, Zr
Properties included
energy, atomic forces, cauchy stress
Usage
ds.parquet: Aggregated dataset information.co/directory: Configuration rows each include a structure, calculated properties, and metadata.cs/directory : Configuration sets are subsets of configurations grouped by some common characteristic. Ifcs/does not exist, no configurations sets have been defined for this dataset.cs_co_map/directory : The mapping of configurations to configuration sets (if defined).
ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:
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