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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
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21. BlochLib-a fast NMR toolkit - BlochLib is an expression template library of generic data structures and algorithms to perform large scale nuclear magnetic resonance classical and quantum mechanical spin simulations, with many I/O capabilities,and integrated numerical routines.

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22. bni-tools - The BNI (Beyond Normal Interaction)- Tools is a plug in for the PyMOL molecular visualization system which adds additional functionalities and presets to the PyMOL GUI and also adds useful extended commands.

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23. bruread - bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite

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24. Burrow-owl - Burrow-owl is a software package for visualizing multidimensional nuclear magnetic resonance (NMR) spectra, with an emphasis on spectra used in macromolecular structure determination.

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25. calibration and maintenance for labs - QMS Application to track control, inspection, measurement and test equipment. It can be used for asset management and CRM. It is primarily for companies and labs adhering to ISO 9001 quality standards. There are plans to add a non-conformance management.

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26. Cantera - Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.

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27. CARMEL 'CARbon MEchanics Lab' - CARMEL is a suit of parallel codes designed to perform classical molecular dynamics simulations of atomic and ionic systems Potentials : Lennard Jones, Yukawa, Tersoff Bond order Integrators : NPT, NVT, NVE

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28. cca-forum - Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.

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29. cclib - cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS.

Click here to download.  
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30. ccwatcher - ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a Command Line Interface" to which it parses important output and plots SCF energies. Avogadro plugin capability is planned.

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31. cdfread - cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.

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32. CDKTools - The Octet-CDK interoperability package.

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33. CellMC - CellMC is a multi-platform XSLT-based SBML compiler producing executable SSA models based on the optimised direct method.

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34. Chamber Interior Ballistics - chamber is a reactive hydrodynamic modeling tool specifically designed for small arms interior ballistics research. Multiple equations of state and burn models are supported. chamber is an adaptation of the BKW, SIN, 2DL and 2DE codes in one package.

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35. CheckCML - The CheckCML project is a collection of modules for the production and checking of chemical experimental data represented as CML. The core CheckCML library provides classes for the checking process; tools such as OscarData allow for the production of CML

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36. Chem Works - Mathematics, Chemistry and Bio-informatics semantic knowledge editor and simulation environment. It should serve as interactive science learning program or science classroom notebook and workshop.

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37. ChemBot - Extensible 3-dimensional chemical reaction modeling tool that utilizes the known scientific rules and theorems to predict complex molecular reactions on an organismal level. Will serve as a starting point for developing a simulated organism.

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38. ChemBuddy - Cocoa/Objective-C chemical analysis and computation program; includes gas laws, solutions/solubility, stoichiometry, periodic tables, et alii.

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39. ChemClipse - Provide the chemical world with a frontend for entering and managing chemical data. This frontend will be made with the Eclipse Rich Client Platform. Additionally a Server component will be developed for storing and retrieving the data.

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40. Chemdraw in LaTeX - Conversion of CdXML files issued by ChemDraw into EPS files easily usable by LaTeX. This project has just been merged into Open Babel, and now consists in the design of an EPS export format for Open Babel. It might be delivered as a standalone as well.

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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
Select a page:   Previous   1   2   3   5   10   14   Next

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