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ASCEND - open-source equation-based modelling environment. Cantera - chemical kinetics package. Celestia - a 3D astronomy program. CP2K - Open-source ab-initio molecular dynamics program. DWSIM - an open-source CAPE-OPEN compliant chemical process simulator. EFDC Explorer - open-source for processing of the Environmental Fluid Dynamics Code (EFDC).
Molecule builder-editor for Windows, Linux, Unix, and macOS. All source code is licensed under the GNU General Public License (GPL) version 2. Supported languages include: Chinese , English , French , German , Italian , Russian , Spanish , and Polish .
Linux, Windows: Agros2D: Multiplatform open source application for the solution of physical problems based on the Hermes library: University of West Bohemia: 3.2: 2014-03-03: GNU GPL: Free: Linux, Windows: CalculiX: It is an Open Source FEA project. The solver uses a partially compatible ABAQUS file format. The pre/post-processor generates ...
ChemDraw is a molecule editor first developed in 1985 by Selena "Sally" Evans, her husband David A. Evans, and Stewart Rubenstein [1] [2] (later by the cheminformatics company CambridgeSoft).
Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. [3] It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides both a comprehensive library and command-line ...
The Tinker package is based on several related codes: (a) the canonical Tinker, version 8, (b) the Tinker9 package as a direct extension of canonical Tinker to GPU systems, (c) the Tinker-HP package for massively parallel MPI applications on hybrid CPU and GPU-based systems, (d) Tinker-FFE for visualization of Tinker calculations via a Java-based graphical interface, and (e) the Tinker-OpenMM ...
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.
The cement chemist notation is not restricted to cement applications but is in fact a more general notation of oxide chemistry applicable to other domains than cement chemistry sensu stricto. For instance, in ceramics applications, the kaolinite formula can also be written in terms of oxides, thus the corresponding formula for kaolinite,