title: Open source molecular modeling.
abstract: 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.
authors.affiliation: Young Researchers and Elites Club, Science and Research Branch, Islamic Azad University, Tehran, Iran.
authors.forename: Somayeh
authors.initials: S
authors.lastname: Pirhadi
authors.affiliation: Department of Computational and Systems Biology, University of Pittsburgh, United States.
authors.forename: Jocelyn
authors.initials: J
authors.lastname: Sunseri
authors.affiliation: Department of Computational and Systems Biology, University of Pittsburgh, United States. Electronic address: dkoes@pitt.edu.
authors.forename: David Ryan
authors.initials: DR
authors.lastname: Koes
mesh_terms: D004353:Drug Evaluation, Preclinical; D020407:Internet; D008024:Ligands; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship; D011789:Quantum Theory; D012984:Software; D013816:Thermodynamics
chemical_list: D008024:Ligands
keywords: Cheminformatics; Molecular modeling; Open source; Software