Published October 26, 2020 | Version 0.0.1
Software Open

ROOST - Representation Learning from Stoichiometry

Creators

  • 1. University of Cambridge

Description

A python implementation of the Roost framework reference model. The Roost approach imagines that materials can be represented as dense stoichiometry graphs and then uses a message passing framework to learn mappings between the stoichiometry graphs and material properties.

Notes

Development of this code continues at https://github.com/CompRhys/roost

Files

roost_nature_comm.zip

Files (148.2 MB)

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