http://orcid.org/0000-0002-7317-9959
About the Authors
- Andrew E. Bruno
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Roles Data curation, Writing – original draft, Writing – review & editing
Affiliation Center for Computational Research, University at Buffalo, Buffalo, New York, United States of America
- Patrick Charbonneau
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Roles Conceptualization, Project administration, Supervision, Validation, Writing – original draft, Writing – review & editing
Affiliations Department of Chemistry, Duke University, Durham, North Carolina, United States of America, Department of Physics, Duke University, Durham, North Carolina, United States of America
- Janet Newman
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Roles Data curation, Resources, Validation, Writing – original draft, Writing – review & editing
Affiliation Collaborative Crystallisation Centre, CSIRO, Parkville, Victoria, Australia
- Edward H. Snell
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Roles Data curation, Resources, Validation, Writing – original draft, Writing – review & editing
Affiliations Hauptman-Woodward Medical Research Institute, Buffalo, New York, United States of America, SUNY Buffalo, Department of Materials, Design, and Innovation, Buffalo, New York, United States of America
- David R. So
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Roles Investigation, Validation
Affiliation Google Brain, Google Inc., Mountain View, California, United States of America
- Vincent Vanhoucke
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Roles Data curation, Formal analysis, Methodology, Project administration, Software, Supervision, Validation, Writing – original draft, Writing – review & editing
* E-mail: vanhoucke@google.com
Affiliation Google Brain, Google Inc., Mountain View, California, United States of America
- Christopher J. Watkins
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Roles Validation
Affiliation IM&T Scientific Computing, CSIRO, Clayton South, Victoria, Australia
- Shawn Williams
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Roles Conceptualization, Data curation, Project administration, Supervision, Validation, Writing – original draft, Writing – review & editing
Affiliation Platform Technology and Sciences, GlaxoSmithKline Inc., Collegeville, Pennsylvania, United States of America
- Julie Wilson
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Roles Validation, Writing – original draft, Writing – review & editing
Affiliation Department of Mathematics, University of York, York, United Kingdom
Competing Interests
VV and DRS are employed by Google Inc., and SPW is employed by GlaxoSmithKline Inc. This does not alter our adherence to PLOS ONE policies on sharing data and materials.