{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/chemistry-informed-macromolecule-graph","title":"GLAMOUR: Graph Learning over Macromolecule Representations","arxiv_id":"2103.02565","date":"2021-03-03","proceeding":null,"authors":["Somesh Mohapatra","Joyce An","Rafael Gómez-Bombarelli"],"abstract":"The near-infinite chemical diversity of natural and artificial macromolecules arises from the vast range of possible component monomers, linkages, and polymers topologies. This enormous variety contributes to the ubiquity and indispensability of macromolecules but hinders the development of general machine learning methods with macromolecules as input. To address this, we developed GLAMOUR, a framework for chemistry-informed graph representation of macromolecules that enables quantifying structural similarity, and interpretable supervised learning for macromolecules.","url_abs":"https://arxiv.org/abs/2103.02565v3","url_pdf":"https://arxiv.org/pdf/2103.02565v3.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"chemistry-informed-macromolecule-graph","repo_url":"https://github.com/learningmatter-mit/GLAMOUR","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"pytorch","reach":null}],"tasks":[{"task_slug":"decision-making","task_name":"Decision Making"},{"task_slug":"diversity","task_name":"Diversity"},{"task_slug":"graph-learning","task_name":"Graph Learning"}],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"syntology_url":null,"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}