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Segmentation fault during data pre-processing for sampling script #9

@ArndtEistert

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@ArndtEistert

Hello,

I have been trying to run the sampling script (scripts/sample_diffusion_no_pocket.py) but am encountering a persistent Segmentation fault (core dumped) error.

The log shows that this crash happens immediately after the script prints:
../data/MOSES2/moses2_processed_dgcnn_signeddist_512_test.lmdb does not exist, begin processing data

I have successfully set up the conda environment after fixing several dependency issues, and my system has ample RAM allocated to WSL2. The crash appears to be specific to the on-the-fly data pre-processing step, which seems to have very high resource requirements.

Would it be possible for you to please share the pre-processed test file, moses2_processed_dgcnn_signeddist_512_test.lmdb? Having this file would allow me to bypass the pre-processing step and continue with my research using your excellent work.

Thank you very much for your time and help!

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