Geoffrey Hutchison
University of Pittsburgh
2 papers in the Anchorcite directory, published between 2011 and 2012, cited 22,334 times in total.
ORCID profileResearch topics
- Machine Learning in Materials Science · 2 papers
- Computational Drug Discovery Methods · 1 paper
- Molecular spectroscopy and chirality · 1 paper
- Protein Structure and Dynamics · 1 paper
- Scientific Computing and Data Management · 1 paper
Frequent co-authors
- Tim Vandermeersch · 2 papers
- Noel M. O’Boyle · 1 paper
- Michael Banck · 1 paper
- Chris Morley · 1 paper
- Marcus D. Hanwell · 1 paper
- David C. Lonie · 1 paper
- Eva Zurek · 1 paper
Papers
- Open Babel: An open chemical toolboxJournal of Cheminformatics · 2011 · 11,515 citations
BACKGROUND: A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de facto standards have arisen (for example, SMILES format), the need to interconvert…
- Avogadro: an advanced semantic chemical editor, visualization, and analysis platformJournal of Cheminformatics · 2012 · 10,819 citations
BACKGROUND: The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses…
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