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The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical...122 weekly downloads
Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water...58 weekly downloads
2D molecule editor
Molsketch is a 2D molecular editing tool. Its goal is to help you draw molecules quick and easily. Of course you're creation can be exported...27 weekly downloads
Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering...15 weekly downloads
ShelXle is a Qt GUI for SHELXL
ShelXle combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files with an interactive graphical...5 weekly downloads
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Generation of molecular formulas by high-resolution MS and MS/MS data
Open source implementation of molecular formula calculation by high resolution MS and MS/MS data as described in M. Meringer, S. Reinker, J....2 weekly downloads
A small tool for chemists and chemistry amateurs
A very simple program. For balancing chemical equations and for converting units (Temperature, Weight, Pressure, Volume, Radiation, etc). It is...
Diffraction related calculations in Fortran 2003
full snapshots of CRYSFML code and parts of SXTALSOFT code
A library to easily analyse output of the Heidelberg MCTDH code
This project aims to provide a set of routines to easily read in and manipulate the output of the Heidelberg MCTDH code. The goal is to enable a...
Modern library for chemistry file reading and writing
Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program...
Analyze molecular simulation data
LOOS is a light-weight object oriented software library for creating new tools for analyzing molecular simulation data, written in C++. The main...
.../pteros/ Pteros is the C++ library for custom molecular modeling and simulations codes designed for researchers, not for C++ gurus. Provides facilities...
Periodic Table of Elements a quick reference tool
Periodic Table of Elements is a quick reference tool that allows you a quick glance to get general information about an element. The program is...
.../openGL/GLSL with more than 125,000 lines of codes. In addition to Qt, the only external library needed is GSL everything else is coded from the scratch.
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave...
xylib is a portable library for reading x-y data from powder diffraction, spectroscopy and other experimental methods. Supported formats: VAMAS...1 weekly downloads
ECTk - The electrochemical tool kit
... board supported by the comedi library. This offers a great flexibility as a large number of IO boards are supported by comedi. ECTk is running under...
Animp is an OpenGL program to display movies of particles in motion where the movies are produced by adding calls to animp library routines...
Monte Carlo Simulations of Asymmetric Exclusion Processes
Monte Carlo simulations of various classes of asymmetric exclusion processes (ASEP) with open and periodic boundaries. ASEP is a paradigmatic...
OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org1 weekly downloads
Beryllium¹º is a program designed to facilitate the creation of group safety data sheets (GSDSs) for hazardous substances and processes. The...
NanoHive is a modular simulator used for modelling the physical world at a nanometer scale. The intended purpose of the simulator is to act as a...1 weekly downloads
chemkit is an open source software library for chemistry applications, particularly in the areas of cheminformatics, molecular visualization...