[Openchemistry-developers] Sample CSV data for mongochem?

[Marcus D. Hanwell]

On Fri, Feb 1, 2013 at 2:45 PM, Eric E. Monson <emonson at cs.duke.edu> wrote:
> Hey guys,
>
> I've been using VTK charts for a GUI I built a while ago, and Marcus mentioned to me recently (on the VTK-dev list) that MongoChem had some good example code, so I've been trying to check it out. I was able to build it okay (I have some notes on that experience if you're interested), but I was wondering if there is someplace I can get some sample data to populate my database? I'm not totally ignorant of chemistry, but it's not my field, and it's not clear where I could get a decent-sized CSV file with the right format and data.
>
I would be interested in any problems you had building, we are working
on making it as smooth as possible (there are a few issues we are
looking into). As Kyle pointed out you can download PubChem data, if
you are interested in getting something to play with then we could
probably make a snapshot of our small database with some example 2D
images, descriptors etc. There is some binary data in there (images),
but we can take a look so that you could just populate a sample
database quickly if that is useful.

Definitely let us know what you think of it, and let us know if we can
help you as you are taking a look.

Marcus