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NiklasGebauer avatar NiklasGebauer commented on July 30, 2024

Hi,
it seems as if the multi-threading in the pre-processing does not work on your machine (not sure if it is a problem of packages or Windows in general as I only tested the code on Linux systems).
You can deactivate the multi-threading by setting n_threads=0 in line 310 of qm9_data.py:

n_threads=8, n_mols_per_thread=125, logging_print=True,

Pre-processing will take a bit longer but this should prevent the error.

from cg-schnet.

Zbless avatar Zbless commented on July 30, 2024

Thank you very much. It works

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