Open source molecular modeling

S Pirhadi and J Sunseri and DR Koes, JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 69, 127-143 (2016).

DOI: 10.1016/j.jmgm.2016.07.008

The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software development provides many advantages to users of modeling applications, not the least of which is that the software is free and completely extendable. In this review we categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry. An updated online version of this catalog can be found at (C) 2016 The Author(s). Published by Elsevier Inc.

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