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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Materials Studio is software for simulating and modeling materials. It is developed and distributed by BIOVIA (formerly Accelrys ), a firm specializing in research software for computational chemistry , bioinformatics , cheminformatics , molecular dynamics simulation, and quantum mechanics .
Free open source: Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA 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
Ninithi – carbon nanotube, graphene, and Fullerene modelling software; Materials Design MedeA [13] Materials Studio; Materials Square [14] - a cloud-based materials simulation web platform, provides GUI for Quantum Espresso, LAMMPS, and Open Calphad; MBN Explorer and MBN Studio [15] [16] MD-kMC [17] PARCAS [18] [19] [20] – Open source ...
This category includes articles related to free software (i. e., software which can be freely copied, used, studied, modified, and redistributed) for electronic design automation. Such software is distributed under the terms of a free software license , which guarantees (among other things) that the software’s source code is made available to ...
List of free analog and digital electronic circuit simulators, available for Windows, macOS, Linux, and comparing against UC Berkeley SPICE.The following table is split into two groups based on whether it has a graphical visual interface or not.
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Free: Linux, MacOS, Windows, Solaris: GOMA: GOMA is an open-source, parallel, and scalable multiphysics software package for modeling and simulation of real-life physical processes, with a basis in computational fluid dynamics for problems with evolving geometry. Sandia National Laboratories, University of New Mexico: 6.1: Aug 28, 2015: GPL ...