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Some questions in config.py and MetaLink's datasets
Thank you for the nice library. but i got some troubles in MetaLink, i sincerely wish you to give some help:
-
Some default settings in
run/config/MetaLink/mol_classification.yaml
can not be found ingraphgym/config.py
, such likecfg.dataset.subgraph = False
,cfg.kg.xxx = xxx
. I copied some 'kg' settings fromgraphgym/contrib/config/metalink.py
tographgym/config.py
for now, but i wonder if there is anotherconfig.py
for MetaLink? -
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 functionload_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