François Bérenger

algorithm: - build tree for a smallish random partition - address in parallel all remaining molecules - emboss the small tree - Eventually, continue building the tree for each group...

add function to brute force test the distance function

1

To try finding a counter example to the triangular inequality when you have doubts about the distance function

That kind of gnuplot would be cool: https://fribbels.github.io/vptree/Images/full.png

There is an implementation in rdkit. This is less information lossy compared to standard (uncounted-folded) fingerprints.

Error upon make tests

1

I tried the standalone version of Frog2. Upon make tests, I get the GPL header then: : File name too long from: can't read /var/mail/frowns from: can't read /var/mail/frowns from:...

And thanks for providing Frog2 by the way !

http://www.hammerlab.org/oml/index.html

no Kolmogorov-Smirnov test in there?

6

Either I am dreaming or this is a useless library. ;)

Fatal error: exception Unix.Unix_error(Unix.EINVAL, "Sendmsg.send", "")

2

I get this on a Mac sometimes... From the send manpage in there: ``` The sendmsg() system call will fail if: [EINVAL] The sum of the iov_len values overflows an...