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Descriptors calculation with PLEC #177

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andregiuseppecavalli opened this issue Jan 26, 2024 · 0 comments
Closed

Descriptors calculation with PLEC #177

andregiuseppecavalli opened this issue Jan 26, 2024 · 0 comments

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@andregiuseppecavalli
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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

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