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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). ...

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 platforms and is used in computational chemistry, molecular modeling, bio informatics, material science and other

Gabedit 2.5.1

Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem It can display a variety of calculation results including support for most ...

Gabedit for Linux 2.5.1

Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem It can display a variety of calculation results including support for most ...

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 board, with machine learning (ML) algorithms being among the most reliant on LA operations; they provide ...

Mathematica 13.2.0

... 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 computation are traditionally thought of as separate, to the detriment of users. In Mathematica, they are seamlessly integrated, enabling unique ...
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