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When I import the LMDB files of the Open Catalyst 2022 dataset and try to load the PyG data objects, I obtain the following error
RuntimeError: The 'data' object was created by an older version of PyG. If this error occurred while loading an already existing dataset, remove the 'processed/' directory in the dataset's root folder and try again.
To my understanding, Open Catalyst 2022 was previously released in .traj format, and this enabled a more flexible import that was not strongly dependent off the version of the packages.
Is there any way that:
the incompatibility between PyG versions can be solved - No, I do not want to downgrade my version of PyG
make available the raw data of Open Catalyst 2022, which allows for more flexibility on the user?
Expected Behavior
I would like the code not to complain about versions of PyG when importing Data objects
Releasing the dataset in a format the enforces using a specific version of PyG severely affects the usability of this dataset. Providing the raw output in XYZ formats would enable a much wider usage of the dataset.
Relevant files to reproduce this bug
No response
The text was updated successfully, but these errors were encountered:
Python version
Python 3.11.5
fairchem-core version
1.2.1
pytorch version
2.6.0
cuda version
12.1
Operating system version
Linux
Minimal example
Current behavior
When I import the LMDB files of the Open Catalyst 2022 dataset and try to load the PyG data objects, I obtain the following error
RuntimeError: The 'data' object was created by an older version of PyG. If this error occurred while loading an already existing dataset, remove the 'processed/' directory in the dataset's root folder and try again.
To my understanding, Open Catalyst 2022 was previously released in .traj format, and this enabled a more flexible import that was not strongly dependent off the version of the packages.
Is there any way that:
Expected Behavior
I would like the code not to complain about versions of PyG when importing Data objects
Releasing the dataset in a format the enforces using a specific version of PyG severely affects the usability of this dataset. Providing the raw output in XYZ formats would enable a much wider usage of the dataset.
Relevant files to reproduce this bug
No response
The text was updated successfully, but these errors were encountered: