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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

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

Mathematica
Mathematica 13.0.1   
... 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

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
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