search

chopralab / cipher_db

Repository for RESTful API, GUI, and Mongo DB triggers for the cipher database
2 stars 0 forks source link

Feat/tree config #8

Closed davidegraff closed 2 years ago

davidegraff commented 2 years ago

refactoring the reactivity "service" to include default config files inside the package rather than relying on the filesystem itself

also added setup file for the package and moved the tests around

davidegraff commented 2 years ago

I think I'll move the document builder code into a new module builder.py. it won't add new code, just move it from trigger.py. How's that sound?

mmuhoberac commented 2 years ago

That sounds good. After that is done you can merge and then run the retrosynthesis prediction on the ~550 compounds in the database if that works for you. Zack and I need to merge some changes as well after but you can merge first and we will rebase.