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XuhanLiu / DrugEx

Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
MIT License
196 stars 67 forks source link

No utils.canonicalize_list in Drug_ex v2.0 #22

Closed ForeverForL closed 1 year ago

ForeverForL commented 1 year ago

Thanks for sharing such an interesting tool . But I got some problems when running the project. In Drug_ex v2.0 ->rlearner.py ->class Evolve->def fit() image but there's no 'canonicalize_list' function in utils Hope you can reply to me.

martin-sicho commented 1 year ago

Hi @ForeverForL,

thanks for the interest in the project! We now have a more bug-free and more convenient package to use. You will find the v2 model implemented there as well and it also has a dedicated tutorial.

ForeverForL commented 1 year ago

Thank you for your early reply! I would close the comment!