/tools/polymer-chemprop-data
polymer-chemprop-data
coleygroup/polymer-chemprop-data
21 stars6 forksJupyter NotebookAdded February 8, 2026
summary
The repository contains data and tools for predicting molecular properties of polymers using a graph representation. It includes datasets of computed electron affinities and ionization potentials, as well as instructions for reproducing the associated calculations.
description
Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
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