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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.
Aqion is a hydrochemistry software tool. It bridges the gap between scientific software (such like PhreeqC [1]) and the calculation/handling of "simple" water-related tasks in daily routine practice. The software aqion is free for private users, education and companies.
XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL . In Microsoft Windows this program is called WinDrawChem.
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 ...
Personal tools. Donate; Create account; Log in; ... Pages in category "Free chemistry software" The following 16 pages are in this category, out of 16 total.
Ghemical is a computational chemistry software package written in C++ and released under the GNU General Public License. [3] The program 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.
It is free and open-source software, released under a GNU Lesser General Public License (LGPL). It is written in Java and so can run on the operating systems Windows , macOS , Linux , and Unix . There is a standalone application (editor), and two varieties of applet (editor and viewer) that can be integrated into web pages .
ChemWindow is a chemical structure drawing molecule editor and publishing program now published by John Wiley & Sons as of 2020, [1] originally developed by Bio-Rad Laboratories, Inc. [2] [3] It was first developed by SoftShell International in the 1990s. [4]
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