MachineLearningLifeScience / poli

A library of discrete objectives
MIT License
13 stars 1 forks source link

Should we add CALVADOS? #206

Closed miguelgondu closed 2 months ago

miguelgondu commented 3 months ago

https://github.com/KULL-Centre/CALVADOS/tree/main

miguelgondu commented 3 months ago

The pipeline also includes some interesting other properties (e.g. energies).

miguelgondu commented 3 months ago

Updated version: https://github.com/KULL-Centre/_2024_Cao_CALVADOSCOM

miguelgondu commented 2 months ago

Hey Simon, should we close this issue? (Maybe after adding a comment with our conclusions on whether CALVADOS makes sense to add)

SimonBartels commented 2 months ago

Yes, I agree. For now there is no meaningful objective that we can optimize with CALVADOS.