Out-of-memory occurs at preprocessing training data

wengong-jin / hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

MIT License

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Closed hwidong-na closed 3 years ago

hwidong-na commented 3 years ago

Hi,

I got an unexpected error due to the memory consumption during preprocessing.

Environment: numpy 1.19.2 python 3.7.10 pytorch 1.8.0 rdkit 2020.09.1.0 Mem: 64GB

Any suggestions?

Best, Hwidong

hwidong-na commented 3 years ago

Using a machine with larger memory solved this issue.

mpds commented 1 year ago

How much memory did you need to run it?