Currently, the recombination output is a pickle file. This file can only be read with the kinase_focused_fragement_library code. In this PR, we want to make the data independent from the code, i.e. we want to save the data as text file (e.g. in json format)
Todos
[ ] Save data in Combination (and Result object) as dict.
[ ] Save the dict in json format to file (find out if one can write recombined ligands one by one to file)
Description
Currently, the recombination output is a pickle file. This file can only be read with the
kinase_focused_fragement_library
code. In this PR, we want to make the data independent from the code, i.e. we want to save the data as text file (e.g. in json format)Todos
Combination
(andResult
object) as dict.Questions
Status