oddt/oddt

Descriptors calculation with PLEC

andregiuseppecavalli opened this issue · 0 comments

Hi, I'm new in python so I'm not very good at it. I'm trying to calculate descriptors using PLEC similarly to what you have done in the PLECscore.py. To use the PLEC fingerprints do I have to convert them in descriptors using the universal_descriptor class? If so, how do i use in a ML model the obtained descriptor object?

Thank you

Andrea