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Update python/examples/6-explore.py
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Co-authored-by: Guillaume Fraux <[email protected]>
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sofiia-chorna and Luthaf authored Sep 3, 2024
1 parent 1ed4282 commit 2c9dc3c
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion python/examples/6-explore.py
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Expand Up @@ -125,7 +125,9 @@ def fetch_dataset(filename, base_url="https://zenodo.org/records/12748925/files/
# if they were provided to the :py:func:`chemiscope.explore`.


def soap_kpca_featurize(frames, _environments):
def soap_kpca_featurize(frames, environments):
if environments is not None:
raise ValueError("'environments' are not supported")
# Initialise soap calculator. The detailed explanation of the provided
# hyperparameters can be checked in the documentation of the library (``dscribe``).
soap = SOAP(
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