[chemfp] development status
Andrew Dalke
dalke at dalkescientific.com
Wed Aug 24 08:56:12 EDT 2011
So that others know,
Over the last couple of weeks I've been working on the
C code for fast binary searches and trying to get a
unified API for the different searches.
I'm pleased to say that doing the nearest k=3 with
threshold of 0.7 of 25,000 structures against itself
takes about 10 seconds on my desktop machine.
This is slow, twiddly work and I must say a bit mind-numbing.
My hope is that by next week there will be a new release,
and that people will be able to kick the tires and give
me feedback.
Andrew
dalke at dalkescientific.com
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