computational chemistry software free

Download PyQuante 1.6.0: Python Quantum Chemistry

Download PyQuante 1.6.0: Python Quantum Chemistry

November 26, 2021    
Chemist    

PyQuante software download is a tool for Python Quantum Chemistry and programs for developing quantum chemistry methods. The program is written in the Python programming language, but has many “rate-determining” modules also written in C for speed. The resulting code, though not as fast as Jaguar, NWChem, Gaussian, or MPQC, is much easier to understand and modify. The goal of this software is not necessarily to provide a working quantum chemistry program (although it will hopefully do that), but rather to provide a well-engineered set of tools so that scientists can construct their own quantum chemistry programs without going through the tedium of having to write every low-level routine.

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Download Ghemical

Download Ghemical 3.0.0 computational chemistry software

November 19, 2021    
Chemist    

Ghemical software free download is a computational chemistry software package and has graphical user interface based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations — MOPAC provides the semi-empirical MNDO, MINDO, AM1, and PM3 methods, and MPQC methods based on Hartree–Fock calculations.

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Download Viewmol 2.4.1 Molecular Structures Software

Download Viewmol 2.4.1 Molecular Structures Software

August 13, 2021    
Chemist    

Viewmol software free  download is a  graphical front end for computational chemistry software. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results. Viewmol has originally been developed by Jörg-Rüdiger Hill and Andreas Bleiber in the Quantum Chemistry Group of Humboldt University.

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