About the Authors

Lokender Kumar

Roles Investigation, Writing – original draft

Affiliation Department of Chemistry, Colorado School of Mines, Golden, CO, United States of America

Nathanael Brenner

Roles Investigation, Visualization, Writing – original draft

Affiliation Department of Chemistry, Colorado School of Mines, Golden, CO, United States of America

Samuel Sledzieski

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

Affiliation MIT Computer Science & Artificial Intelligence Lab, Massachusetts Institute of Technology, Cambridge, MA, United States of America

Monsurat Olaosebikan

Roles Software

Affiliation Department of Computer Science, Tufts University, Medford, MA, United States of America

Liza M. Roger

Roles Investigation, Validation, Writing – review & editing

Affiliation Department of Chemical and Life Science Engineering, Virginia Commonwealth University, Richmond, VA, United States of America

Matthew Lynn-Goin

Roles Software

Affiliation Department of Chemistry, Colorado School of Mines, Golden, CO, United States of America

Roshan Klein-Seetharaman

Roles Data curation, Methodology, Software, Writing – review & editing

Affiliation Yale University, New Haven, CT, United States of America

Bonnie Berger

Roles Investigation, Methodology, Supervision, Writing – review & editing

Affiliation MIT Computer Science & Artificial Intelligence Lab, Massachusetts Institute of Technology, Cambridge, MA, United States of America

Hollie Putnam

Roles Funding acquisition, Investigation, Resources, Validation, Writing – review & editing

Affiliation Department of Biological Sciences, University of Rhode Island, South Kingstown, RI, United States of America

Jinkyu Yang

Roles Funding acquisition, Investigation

Affiliation Department of Department of Aeronautics & Astronautics, University of Washington, Seattle, WA, United States of America

Nastassja A. Lewinski

Roles Funding acquisition, Writing – review & editing

Affiliation Department of Chemical and Life Science Engineering, Virginia Commonwealth University, Richmond, VA, United States of America

Rohit Singh

Roles Conceptualization, Investigation, Methodology, Software, Supervision, Visualization, Writing – original draft, Writing – review & editing

Affiliation MIT Computer Science & Artificial Intelligence Lab, Massachusetts Institute of Technology, Cambridge, MA, United States of America

Noah M. Daniels

Roles Data curation, Investigation, Methodology, Software, Writing – original draft, Writing – review & editing

Affiliation Department of Computer Science and Statistics, University of Rhode Island, South Kingstown, RI, United States of America

Lenore Cowen

Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Writing – original draft, Writing – review & editing

Affiliation Department of Computer Science, Tufts University, Medford, MA, United States of America

Judith Klein-Seetharaman

Roles Conceptualization, Funding acquisition, Investigation, Project administration, Resources, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

jkleinse@asu.edu

Affiliation Department of Chemistry, Colorado School of Mines, Golden, CO, United States of America

Competing Interests

The authors have declared that no competing interests exist.