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1

OpenChrom

OpenChrom is a tool for gas chromatography and mass spectrometry. The focus is to handle data files from different GC/MS and GC/FID systems and vendors. Its functionality and algorithms can be extended using a flexible plugin approach, based on Eclipse RCP.

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Downloads: 3 This Week

Last Update: 2018-08-08
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2

Iphigenie

A fast and versatile molecular dynamics program

The molecular mechanics (MM) program Iphigenie provides a broad range of molecular dynamics (MD) methods and technologies, including polarizable force fields (PMM), the HADES reaction field, and QM/(P)MM hybrid simulations.

Downloads: 0 This Week

Last Update: 2019-02-22
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3

Nature

Nature is an open source library for computing thermochemical and kinetic properties of complex gas mixtures. The library supports the CHEMKIN data format and a native script for defining complex gas mixtures. Nature is written in C# and does not depend on any third party tool or library. Nature interoperates natively with any .NET language including the FTN95: Fortran 95 compiler. The primary goal of the project is to deliver the open source that provides the foundation for potentially complex CFD solutions capable of carrying computing in the distributed environment and particularly the Cloud computing.

Downloads: 0 This Week

Last Update: 2016-10-19
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4

JNI-InChI

Java Native Interface wrapper for the IUPAC International Chemical Identifier (InChI)

Downloads: 0 This Week

Last Update: 2013-04-26
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