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SageMath - a system for algebra and geometry experimentation via Python. Scilab - free open-source software for numerical computation and simulation similar to MATLAB/Simulink. Sim4Life.lite - online version of Sim4Life that is free-of-charge for students for team-learning and online collaboration with classmates and teachers on limited size ...
Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...
The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have been developed over many years. Most of them are large, often containing several separate programs, and have been developed over many years.
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics , semi-empirical methods , ab initio models , [ 3 ] density functional models , [ 4 ] post-Hartree–Fock models, [ 5 ] and thermochemical recipes including G3(MP2) [ 6 ] and T1. [ 7 ]
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Gaussian / ˈ ɡ aʊ s i ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1] [2] and his research group at Carnegie Mellon University as Gaussian 70. [3]
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