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onomastics (seen in code)












 
To teach that a comparatively few men are responsible for the greatest forward steps of mankind is the worst sort of nonsense.
Henry Ford
0, 1, 1, 2, 3, 5, 8, 13, 21, 34,...
xn = xn-1 + xn-2

Chemistry

Tuesday, 24 April 2007 22:01
Cheminformatics
Open Babel: The Open Source Chemistry Toolbox
Gnome Chemistry Utils
ghemical

Brabosphere - Compilation and Installation
Macs in Chemistry Home


Web resources (info)
chemmybear.com
ChemSpider - Database of Chemical Structures and Property Predictions




chemsoc timeline - visual exploration of key events in the history of science with particular emphasis on chemistry created by artist Murray Robertson.
WebElements Periodic Table of the Elements
The Molecular Modelling Toolkit — Molecular Modelling Toolkit
Scientific computing: scipy/pylab (like Matlab)
? Molecular dynamics: MMTK
? Statistics: scipy, rpy (R), pychem
? 3D-visualisation: VTK (mayavi)
? 2D-visualisation: scipy, pylab, rpy
? coming soon, a wrapper around OpenBabel
? cheminformatics: OEChem, frowns, PyDaylight, pychem
? bioinformatics: BioPython
? structural biology: PyMOL
? computational chemistry: GaussSum
? you can still use Java libraries...like the CDK
Python for Chemistry in 21 days (pdf)


General Chemistry Online: FAQ: Simple compounds: Where do I find compound properties on the Web?
PyLab -
Open Chemistry - quantum chemistry codes, molecular dynamics, informatics and visualization.

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Last Updated on Tuesday, 25 February 2014 10:04