teaching software: Sciences
New software: scientific research
- PyMOlyze is a graphical
program for analyzing the results of quantum chemistry (DFT)
calculations. The following analyses are available for user-defined
molecular fragments: Mulliken Population Analysis (MPA), C-squared
Population Analysis (SCPA), Overlap Population Analysis, and Mayer's
Bond orders. Supported QM packages include Gaussian, ADF, GAMESS (US),
GAMESS (UK), and PCGAMESS.
- OpenScientist is an
integration of open source products working together to do scientific
visualization and data analysis, in particular for high energy physics
(HEP). It provides a re-implementation of FreeHEP's AIDA and CERN's PAW
software, graphing and data analysis software, together with a
framework for combining third-party software into a single unified
- Peak-o-mat (formerly Lorentz)
is a peak fitting program aimed at the fitting of spectroscopic data.
It is especially useful if you're facing a large amount of spectra
which has to be transformed, cleaned, and fitted. Some predefined peak
shapes are available which are frequently used with spectroscopy, but
adding custom functions is very easy.
- Gwyddion is a modular SPM
(Scanning Probe Microsope) data visualization and analysis tool. It can
be used for all most frequently used data processing operations
including: leveling, false color plotting, shading, filtering,
denoising, data editing, integral transforms, grain analysis, profile
extraction, fractal analysis, and many more. The program is primarily
focused on SPM data analysis (e.g. data obtained from AFM, STM, NSOM,
and similar microscopes). However, it can also be used for analyzing
SEM (scaning electron microscopy) data or any other 2D data.
- QtiPlot is a clone of Origin
for data analysis and scientific plotting.
- GNU TeXmacs is a free
scientific text editor, which was inspired by both TeX and GNU Emacs.
The editor allows you to write structured documents via a "wysiwyg" and
user friendly interface. The program implements high quality
typesetting algorithms and TeX fonts. It is also possible to use
TeXmacs as an interface to computer algebra systems. Finally, TeXmacs
supports the Guile/Scheme extension language, which makes it possible
to adapt the user interface to specific needs, and even to extend the