Overcoming extrapolation challenges of deep learning by incorporating physics in protein sequence-function modeling

• Shrishti Barethiya,

  Roles Conceptualization, Data curation, Investigation, Methodology, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, University of Massachusetts, Amherst, Massachusetts, United States of America

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• Jian Huang,

  Roles Investigation, Methodology, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, University of Massachusetts, Amherst, Massachusetts, United States of America

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• Clarice Stumpf,

  Roles Investigation, Validation, Writing – review & editing

  Affiliation Department of Chemistry, University of Massachusetts, Amherst, Massachusetts, United States of America

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• Xiao Liu,

  Roles Methodology

  Affiliation College of Information and Computer Sciences, University of Massachusetts, Amherst, Massachusetts, United States of America

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• Hui Guan,

  Roles Conceptualization, Methodology, Writing – review & editing

  Affiliation College of Information and Computer Sciences, University of Massachusetts, Amherst, Massachusetts, United States of America

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• Jianhan Chen

  Roles Conceptualization, Funding acquisition, Methodology, Resources, Supervision, Writing – review & editing

  * E-mail: jianhanc@umass.edu

  Affiliation Department of Chemistry, University of Massachusetts, Amherst, Massachusetts, United States of America

  https://orcid.org/0000-0002-5281-1150

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