Open source molecular modeling
Somayeh Pirhadi, Jocelyn Sunseri, David Ryan Koes · Journal of Molecular Graphics and Modelling · 2016
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 https://opensourcemolecularmodeling.github.io.