Chemistry
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MWCalc This software is a molecular weight calculator.
3 weekly downloads -
Mendeleev Molecular Weight Calculator Mendeleev is a molecular weight calculator for PalmOS devices. Operation is simple -- just enter the formula for the molecule, and the molecular weight will be displayed.
3 weekly downloads -
MoCalc2012 Graphical User Interface for MOPAC and GAMESS (WinGAMESS and Firefly)
3 weekly downloads -
Morpheus search algorithm a mass spectrometry–based proteomics database search algorithm
3 weekly downloads -
NAcMoS ( Nucleic Acid Modeling System ) The program NAcMoS (Nucleic Acid Modeling System) is a software package that leads to a natural classification of RNAs represented as weighted graphs.
3 weekly downloads -
NMkit NMkit is used in vibrational Normal Mode analysis. Using Gaussian Software's output, it determines the internal coordinate representations of normal modes, and performs other geometric manipulations in Internal Coordinate space.
3 weekly downloads -
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.
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OpenChem Workbench OpenChem Workbench is an enterprise software suite designed for creating, saving, searching, and exchanging chemical data. It uses existing tools (NIST, Gaussian, CHEMKIN) and its own (easy molecule building, mechanism management, group additivity, etc.)
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PLASMAKIN: a chemical kinetics package A library to compute the electron and chemical kinetics on plasmas
3 weekly downloads -
ProcessTiming Timer to ease your film development processes
3 weekly downloads -
PyMOL Plugins PyMOL Plugins aims to provide many plugins for the PyMOL software. You can find further informations about PyMOL on this website: http://www.pymol.org/
3 weekly downloads -
Python Thermodynamics Modules This project aims to create free Thermodynamics modules for Python. First step is porting IAPWS IF97 Steam and Water properties provided by X Steam (http://www.x-eng.com) from Matlab/Scilab/Visual Basic to Python.
3 weekly downloads -
QLaue Simulation of back reflection Laue diffraction images.
3 weekly downloads -
QMcBeaver QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.
3 weekly downloads -
SENECA SENECA is a program package for Computer Assisted Structure Elucidation (CASE) of organic molecules. While it currently uses mainly 1D and 2D NMR spectroscopy for the CASE process it is open to all types of spectroscopic data.
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SunlightDPD Open source codes related to dissipative particle dynamics
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V-Sorter A sorting tool for Bioinformatics, Biochemistry and/or Molecular biology. This sorts nucleotide sequences aligned using "ClustalW". There may be a way to do this w/ original app, but someone I know couldn't figure out how - thus this project was born
3 weekly downloads -
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++.
3 weekly downloads -
java-STM-AFM A Java program to paint the experimental and theoretical data obtained of STM and AFM.
3 weekly downloads -
mdxvu - molecular dynamics X11 viewer. Mdxvu is a C code program for Linux, Un*x and Win32/Cygwin. It analyses molecular structures and molecular dynamics (MD) trajectories from the AMBER, GROMACS, TINKER and DISCOVER (TM) programs. Simple graphics are provided by using the X11/XLIB library.
3 weekly downloads -
mobcalPARSER A cross-platform interface for the *.mfj file format.
3 weekly downloads -
moleculator Command line molar mass calculator that provides typo checking and options for printing elemental analysis and saving a record of previously calculated molar masses.
3 weekly downloads -
moplot MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaussian 09-94, Molcas, Gamess/US, Firefly quantum chemical calculation packages.
3 weekly downloads -
silico A perl molecular toolkit designed to assist in general molecular modelling activities. Silico provides file format conversion, molecular manipulation and analysis and a simple way to write wrapper scripts around other preexisting software packages.
3 weekly downloads -
Atomic Global Minimum Locator This software searches the potential energy surface of small to medium size atomic systems for global minima using quantum ab initio techniques. It performs bond rotations and molecule translations and rotations on a Linux cluster with MPI.
1 weekly downloads
