On Oct 21, 2015, at 10:36 PM, Matthew Baumgartner wrote:
> Check out chemfp. It can do efficient all-by-all similarity calculations.
> http://chemfp.com/
Thanks for pointing out my software.
As a point of concern, I haven't tested chemfp under MS Windows.
I haven't even compiled it on the platform in years.
So while it *might* work, there's no promises.
(It gets works with version 2.0, which is the for-pay version. I've
changed some "int" values to "long" to support > 4GB of fingerprint
data, and forgot that on the MS-based platforms a "long" is 32 bits.)
Cheers,
Andrew
da...@dalkescientific.com
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