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Skeleton:

  • data_processing
  1. python data_download.py QM9 DECAGON
  2. python data_preprocess.py QM9 DECAGON
  3. python split_cv_data.py QM9 python split_cv_data.py DECAGON

-train

sbatch train_sbatch_script.sh

-test

sbatch test_sbatch_script.sh

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Work on designing a graph co-attention algorithm.

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