[Cdk-devel] JOELib and CDK implementing same descriptor (was: descriptors list (copy))

[E.L. W. <e.w...@sc...>]

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On Wednesday 24 November 2004 14:33, Rajarshi Guha wrote:
> On Wed, 2004-11-24 at 14:04 +0100, Joerg K. Wegner wrote:
> > Its in my opiniion really not necessary to invent the wheel twice. The
> > only reason for this would be if you don't want to use GPL'ed software,
> > because this may critical if you have commercial plans.
>
> I have been wondering about this. I agree with Joerg that reinventing
> the wheel is not such a great idea.
>
> Is it not possible to have JOELib code contributed to CDK? Or is there a
> license incompatibility?

Yes, CDK is LGPL, and JOELib is GPL... and those are incompatible...

> Now, I don't mean to say that JOELib should be merged with CDK. However
> I do believe that if CDK is going to be a comprehensive cheminformatics
> framework it should provide comprehensive functionality. And I would
> think descriptor calculation would be an important component. So unless
> descriptor code can be contributed to the CDK, writing the code does not
> seem to be a waste of effort.

JOElib is aiming to be a comprehensive cheminformatics framework too, and h=
as=20
done an excellent job at that...

The aim of the QSAR project is that we will have an application in which=20
JOELib/CDK/Dragon/Weka/R/whatever can be embedded... so that whatever libra=
ry=20
something is put in, people can use it without trouble...

CDK and JOElib has tried to not redo things as much as possible, but if peo=
ple=20
want to donate code to CDK which duplicates code in JOElib, I won't reject=
=20
it... but I would prefer to see that people would work on complementary=20
stuff...

Egon

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e.w...@sc...
PhD-student on Molecular Representation in Chemometrics
Radboud University Nijmegen
http://www.cac.science.ru.nl/people/egonw/
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