-
Notifications
You must be signed in to change notification settings - Fork 404
Open
Description
Describe the bug
We make examples of data representation using MACE features in the https://chemiscope.org docs.
Since a couple of days, the CI job building the docs fails because it cannot fetch the MACE-OFF model.
Haven't been able to figure out why so I'm hoping this is due to some changes here you can comment on.
Link to chemiscope issue: lab-cosmo/chemiscope#533
To Reproduce
Steps to reproduce the behavior:
Run the MACE-based example in the CI
Expected behavior
The example runs and builds the sphinx-gallery example using MACE
Screenshots
CI Error:
../../python/examples/7-explore-advanced.py failed leaving traceback:
Traceback (most recent call last):
File "/home/runner/work/chemiscope/chemiscope/python/examples/7-explore-advanced.py", line 125, in <module>
cs = chemiscope.explore(qm9_structures, featurizer=mace_off_tsne, properties=properties)
File "/home/runner/work/chemiscope/chemiscope/.tox/docs/lib/python3.13/site-packages/chemiscope/explore/__init__.py", line 200, in explore
merged_properties["features"] = featurizer(structures, environments)
~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/runner/work/chemiscope/chemiscope/python/examples/7-explore-advanced.py", line 93, in mace_off_tsne
calculator = mace_off(**descriptor_opt)
File "/home/runner/work/chemiscope/chemiscope/.tox/docs/lib/python3.13/site-packages/mace/calculators/foundations_models.py", line 267, in mace_off
raise RuntimeError("Model download failed and no local model found") from exc
RuntimeError: Model download failed and no local model found
Reactions are currently unavailable
Metadata
Metadata
Assignees
Labels
No labels