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Some questions in config.py and MetaLink's datasets

Open Dovahkiin2022 opened this issue 1 year ago • 1 comments

Thank you for the nice library. but i got some troubles in MetaLink, i sincerely wish you to give some help:

  1. Some default settings in run/config/MetaLink/mol_classification.yaml can not be found in graphgym/config.py, such like cfg.dataset.subgraph = False, cfg.kg.xxx = xxx. I copied some 'kg' settings from graphgym/contrib/config/metalink.py to graphgym/config.py for now, but i wonder if there is another config.py for MetaLink?

  2. I have downloaded several datasets like tox21 and toxcast, but it seems not suitble, i don't have some csv files that are required in graphgym/contrib/loader/molecule.py, line 311, the function load_mol_datasets(). May I ask if you have more details about the datasets processing especially about the csv file 'tox21.csv'? Where can i download the suitable format datasets?

Thank you so much, looking forward to hear from you. @JiaxuanYou

Dovahkiin2022 avatar Jan 10 '24 07:01 Dovahkiin2022