ase_atoms_from_zip error

[TheCutestCat]

hi, I try to run the example dataset check code :

from matbench_discovery.data import DataFiles, ase_atoms_from_zip

# # WBM initial structures as ASE Atoms
wbm_init_atoms = ase_atoms_from_zip(DataFiles.wbm_initial_structures.path)
assert len(wbm_init_atoms) == 256_963

the error:

Traceback (most recent call last):
  File "/root/chgnet/examples/wbm_test.py", line 38, in <module>
    wbm_init_atoms = ase_atoms_from_zip(DataFiles.wbm_initial_structures.path)
                     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/root/chgnet/matbench-discovery/matbench_discovery/data.py", line 135, in ase_atoms_from_zip
    with zipfile.ZipFile(zip_filename) as zip_file:
         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/root/miniconda3/lib/python3.12/zipfile/__init__.py", line 1349, in __init__
    self._RealGetContents()
  File "/root/miniconda3/lib/python3.12/zipfile/__init__.py", line 1416, in _RealGetContents
    raise BadZipFile("File is not a zip file")
zipfile.BadZipFile: File is not a zip file

how can I fix that? I am sure that's the file format bug

[janosh]

apologies, that's a typo in the docs. it should be DataFiles.wbm_initial_atoms.path instead of DataFiles.wbm_initial_structures.path. i'll fix that

[TheCutestCat]

@janosh thanks for your reply, that's very helpful😊