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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
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81. freesteam - Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran Python and ASCEND

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82. Frowns - Frowns is a chemoinformatics system written almost entirely in python.

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83. Gabedit - Gabedit is a Graphical User Interface for Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PC Gamess and Q-Chem computational chemistry packages.

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84. GAST-Viz - Atomistic Simulation Toolkit - GAST-Viz is a toolkit allowing for the creation of OpenGL atomistic simulation applications using discrete element modeling methods. A number of sample applications are included.

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85. Gaussian Output Tools - Gaussian Output Tools is a package of simple scripts to extract data from Gaussian output files.

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86. GaussSum - GaussSum parses the output of ADF, GAMESS, GAMESS-UK, and Gaussian to extract useful information: progress of geometry optimisation, UV/IR/Raman spectra, MO contributions and more.

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87. gdis - This is a GTK/OpenGL based program for displaying isolated molecules, periodic systems, and crystalline habits. It also acts as a GUI to packages such as GAMESS, GULP, and POVRay to provide energy minimizations and publication quality rendering.

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88. GEMS - Grid-Enabled Molecular Simulation Repository (GEMS)

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89. Generating derivative structures - A Fortran 95 implementation of an algorithm for generating derivative structures of a parent lattice. The algorithm is discussed in detail in: Gus L. W. Hart and Rodney Forcade, "A new approach to generating derivative structures," Phys. Rev B. (2008).

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90. GenX - GenX is a scientific program to refine x-ray and neutron reflectivity data using the differential evolution algorithm. GenX is very modular and highly extensible making it very useful for sophisticated refinements and as a general fitting program.

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91. GlycanEditor - A visual editor for the definition of Carbohydrate structures, computation of masses and derivation of fragments.

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92. goldify - Goldify is a set of tools that allow automated addition of links into electronic documents. Its main purpose is to allow such addition of links into documents that wish to link to the IUPAC GoldBook (http://goldbook.iupac.org).

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93. gorbital - gorbital is a atomic orbital viewer written using gtkmm (gtk--). gorbital displays a 3d interactive view of a electron orbitals. It is meant to be an open source viewer much like Orbital Viewer by David Manthey (http://www.orbitals.com/orb/).

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94. greylag - Tandem mass spectral peptide identification and validation software, similar to X!Tandem, OMSSA, MyriMatch. Suitable for single hosts through large clusters. Written in Python for simplicity, with performance-critical sections in C++.

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95. Gridder - Gridder is a group of portlets that simplify the use and administration of grid services. Especially for job submission management. Gridder also extends and documents the functionality of the OGCE Bundle. It is plenty of useful documentation.

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96. GSim - tool for NMR spectroscopy - GSim - free software tool for visualisation and processing of experimental and simulated nuclear magnetic resonance (NMR) spectra.

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97. GUI for macro/statistics/chemistry - JTabler is for the simple table manager to utilize other programs, including many internet utilities, statistics tools, especially adapted for chemistry data such as SDF and MOL

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98. HoloJ - A suite for Transmission Electron Microscopy holograms reconstruction and analysis

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99. hr - hr ("High Resolution") is a small command-line utility to calculate possible elemental compositions for a given mass. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.

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100. I.S.A.A.C.S. - I.S.A.A.C.S. Interactive Structure Analysis of Amorphous and Crystalline Systems is a cross-platform software developed to analyze the structural characteristics of three-dimensional models built by computer simulations.

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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
Select a page:   Previous   1   4   5   6   10   14   Next

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