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polyAGM
polyAGM PublicForked from davidkmarzagao/polyAGM
Package for Property Prediction of Polymers based on Automatically Generated Motifs. We use graph kernel together with probabilistic methods to infer property predictions and their explanations.
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polymer-chemprop-data
polymer-chemprop-data PublicForked from coleygroup/polymer-chemprop-data
Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
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polymer-chemprop
polymer-chemprop PublicForked from coleygroup/polymer-chemprop
Message Passing Neural Networks for Molecule Property Prediction
Python
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