article in Tech
biology-math-science
Chemistry
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.
Created: 2007-04-25 03:01:38
Modified: 2014-02-25 15:04:47
