freesteam
Open source steam property routines for C++. Implements the IAPWS-IF97 and IAPWS-95 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 Python.
http://sourceforge.net/projects/freesteam |
Fityk
Fityk is nonlinear curve-fitting and data analysis software. It is specialized in fitting peaks (bell-shaped functions like Gaussian, Loretzian, Pearson 7, Voigt) to experimental data.
http://sourceforge.net/projects/fityk |
PyChem
PyChem (http://pychem.org.uk) is a multivariate analysis package written in Python. It includes a front-end GUI allowing for storage and management of experimental data and results, and analysis using a variety of multivariate statistical algorithms.
http://sourceforge.net/projects/pychem |
SketchEl
Chemical structure sketching tool, for use with various cheminformatics applications. Convenient to use and moderately sophisticated. Suitable for viewing, creating and editing MDL MOL files.
http://sourceforge.net/projects/sketchel |
ECOMAC
The ECOMAC is win32 application used for acquisition and control of chromatographic process, communication with chromatographic devices and storing data for next evaluation. It is written in C.
http://sourceforge.net/projects/ecomac |
Mole
Mole (Chemistry Calculator) can calculate molar mass, number of moles and atoms, empirical and molar formulas and can do stoichiometric calculations such as percent yield and limiting reactant. Mole can also do gas stoichiometry and gas law calculations.
http://sourceforge.net/projects/mole |
REMD toolkit
REMD toolkit is designed as a C++ framework to build a replica-exchange molecular dynamics (REMD) program, suitable for solving the multiple-minima problem that prevents accurate estimation of thermodynamical properties.
http://sourceforge.net/projects/remdtk |
PySpline
PySpline is a graphical, cross-platform program for processing X-ray absorption spectroscopy (XAS) and Extended X-ray absorption fine structure (EXAFS) data. It allows processing parameters to be adjusted and observe the effect on R-space data.
http://sourceforge.net/projects/pyspline |
defunct
defunct
http://sourceforge.net/projects/phosphofind |
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Chemistry