XuhanLiu / DrugEx

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

Package code and make pip installable #1

Open cthoyt opened 5 years ago

cthoyt commented 5 years ago

It would be nice to make this code pip installable and to use entrypoints to make a vanity script through which the scripts can be run. I'd be happy to send a PR.

XuhanLiu commented 5 years ago

Thank you, this is a good suggestion. I will do that after the second version of DrugEx has been released.