#3134·deepchem

prediction atomic/bond feature from atomic/bond features

Author: rmrmgCreated Dec 11, 2022Updated Sep 12, 2026
Labelshelp wanted

I want to build a model for predicting atomic (like NMR shift) or bond (e.g. bond order, AIM parameters of bond critical point, ..) property from atomic **and** bond features. Can deepchem help me with this task? All tutorial which I saw predicts molecular property only.