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Automaton
AUTOMATON: A novel program for the search of global minimum structures of atomic clusters and molecules in the gas phase.Kick-Fukui
A novel program for the search of global minimum structures of atomic clusters and molecules in the gas phase, using as a Coulomb interaction between Fukui functions-based method.TallerDS_1
Es un taller enfocado a la introducción de Colab-pythonTAFF
Pipeline Software for Topological Analysis of Fukui FunctionVMD_scripts
GSCheckDuplicates
The comparison between two structures is based on the cartesian coords.NICSall
A software to analyze induced magnetic fields, chemical shielding, NICS and related properties.SnippetKick
The SnippetKick algorithm combines local with global search for moleculesLove Open Source and this site? Check out how you can help us