Re: [Cdk-user] framework for creating chemical database applications

[Rajarshi G. <raj...@gm...>]

Certainly an impressive amount of work in this and sounds interesting, but
one thing I'd suggest is to have a default option to use an in-memory
database such as H2 or Derby as the backing db. This would save the hassle
of installing PostgreSQL and would also let you provide a simple runnable
demo (say import a few SD files)


On Sat, Mar 9, 2013 at 10:50 AM, Joos Kiener <jo...@su...> wrote:

>  Dear CDK Users,
>
> about a year ago I sent following message to this user list:
>
> http://www.mail-archive.com/cdk...@li.../msg02376.html
>
> After a long pause I finally managed to continue above work and I believe
> it is soon ready to be released.
>
> *I have created a basic framework that allows quick and easy creation of
> chemical database applications:*
>
> *MoleculeDatabaseFramework is a framework for rapidly creating
> applications that need to store and search for chemical structures in a
> relational database. It is based on **Spring-Data Framework<http://www.springsource.org/spring-data>
> ** and uses the **Chemistry Development Kit<http://sourceforge.net/apps/mediawiki/cdk/index.php?title=Main_Page>
> ** and **Bingo PostgreSQL Cartridge<http://ggasoftware.com/opensource/bingo/user-manual-postgres>
> ** for enabling chemistry features.*
>
> For detailed information please see the projects main page:
>
> https://bitbucket.org/kienerj/moleculedatabaseframework
>
> What I'm looking for is
>
> -  feedback from potential users of this framework (features,
> usability,...)
> - "code review" -> eg. suggestions for improvement.
> - contributors, especially with experience in Unit Testing (current tests
> are basically all integration tests).
>
> I'm doing this as hobby in my spare-time as fun. So you can be frank to
> following question:
>
> Do you think there is actually a need for this? (Or does everyone just buy
> a commercial solution? Or use ChemAxon in case of university?)
>
> Best Regards,
>
> Joos
>
>
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-- 
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science