wengong-jin / hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

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Out-of-memory occurs at preprocessing training data

hwidong-na opened this issue · comments

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

Using a machine with larger memory solved this issue.

How much memory did you need to run it?