Search Results for author: Joyce An

Found 2 papers, 1 papers with code

Chemistry-informed Macromolecule Graph Representation for Similarity Computation and Supervised Learning

no code implementations ICLR Workshop GTRL 2021 Somesh Mohapatra, Joyce An, Rafael Gomez-Bombarelli

Macromolecules are large, complex molecules composed of covalently bonded monomer units, existing in different stereochemical configurations and topologies.

Decision Making

GLAMOUR: Graph Learning over Macromolecule Representations

1 code implementation3 Mar 2021 Somesh Mohapatra, Joyce An, Rafael Gómez-Bombarelli

The near-infinite chemical diversity of natural and artificial macromolecules arises from the vast range of possible component monomers, linkages, and polymers topologies.

Decision Making Graph Learning

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