obtain data for constrained optimization task

divelab / DIG

A library for graph deep learning research

https://diveintographs.readthedocs.io/

GNU General Public License v3.0

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obtain data for constrained optimization task #100

Closed dgm2 closed 2 years ago

dgm2 commented 2 years ago

for the constrained optimization task there is only ZINC dataset: zinc_800_graphaf.csv

how to obtain this same csv on moses and qm9? is this given from the output from the property optimization task? thanks!

mengliu1998 commented 2 years ago

Hi @giame,

Thank you for your interest. We only provide the API of ZINC for constrained optimization in DIG, since this is the most commonly used setting in the graph generation community. You can find the cvs files on MOSES and QM9 at here.