Skip to content

Some questions in config.py and MetaLink's datasets #65

@Dovahkiin2022

Description

@Dovahkiin2022

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

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions