Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT
News: V4.1.0 released on 09/29/2020
News: V4.0.0 released on 09/01/2020 with major updates.
News: V3.0.0 released on 06/09/2018 with major updates.
News: V2.2.2 released on 10/14/2017 with minor bug fixes.
News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon.
News: V2.1 with many improvements released on...
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.
Polymer simulation utilites for bead coarse-grained models of polymers. Includes
1) lattice monte carlo. Many kinds of lattices are supported. It shouldn't be a problem to implement any new specific one (discrete models)
2) off-lattice monte carlo and molecular dynamics (continuous models)
Latter one is rebuild of earlier version of
simpatico (http://gemini.cems.umn.edu/research/morse/code/simpatico/home.php)
project.
Input and output are based on PDB file format
which is better to...
The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and sourcecode repository can be found on https://jchempaint.github.io
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