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Avogadro
Avogadro 1.2.0   
... advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. ... include Open Babel import of chemical files, multiple computational packages, crystals, biomolecules, etc. It works across ...
Freeware
tags: molecular modeling, material science, computational chemistry, molecule, molecular, edit

Gabedit
Gabedit 2.5.1   
Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, ...
Open Source
tags: chemistry package, molecule specification, molecule builder, chemistry, package, molecule

Chemistry Development Kit
Chemistry Development Kit 1.5.6 Dev   
Chemistry Development Kit is now developed by more than ... and their NMR spectra are based on the Chemistry Development Kit (CDK). ...
Open Source
tags: Java library, chemoInformatics library, bioinformatics library, chemistry, chemoinformatics, bioinformatics

Mathematica
Mathematica 13.2.1   
... built-in specialized functionality for many technical areas, from computational biology to wavelet analysis, all tightly integrated with the rest of the system. Hybrid Symbolic-Numeric Methodology Symbolic and numerical ...
Trialware | $310.00
tags: CDF, CDF software, wolfram, mathematica, Wolfram Mathematica Player, Wolfram CDF Player

DSATS : Research and Project
DSATS : Research and Project 1.1   
... operations are fundamental to a large number of computational science algorithms. LA algorithms is complicated by the ... operations are fundamental to a large number of computational science algorithms. The applications span the entire scientific ...
Freeware
tags: DSATS Project, DSATS LeaderShip, DSATS TEAM, TEAM, Leadership DSATS
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