Re: graph libraries

Discussion in 'Python' started by Cousin Stanley, Jul 30, 2003.

  1. Andrew ....

    The Java classes provided with the Chemistry Development Kit
    if interfaced with a bit of Jython might be useful ...

    http://cdk.sourceforge.net/

    --
    Cousin Stanley
    Human Being
    Phoenix, Arizona
    Cousin Stanley, Jul 30, 2003
    #1
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  2. Cousin Stanley

    Brian Kelley Guest

    Hi Andrew! A couple more to pepper your list:

    Graph Template Library
    http://www.infosun.fmi.uni-passau.de/GTL/
    Seems to have some fairly decent algorithms but I can't say much more
    than that.

    GNU Goblin Graph Library
    http://www.math.uni-augsburg.de/opt/goblin.html
    Good editors and layout support (not for molecules, of course). Uses
    TCL/TK to script but I think a python port would be minimal.

    And of course, vflib has their own internal model that I have wrapped.
    You can download it from http://frowns.sourceforge.net/

    We could then go into the commercial libraries:

    LEDA and it's java equivalent yWorks. They also distribute BALL
    http://www.algorithmic-solutions.com/enballbeschreibung.htm
    a molecular modelling environment for protein prediction/docking and the
    like. Good academic license but pricey otherwise.

    Tom's Graph Library -> great layout routines.

    Brian.
    Brian Kelley, Jul 30, 2003
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