[chemfp] chemfp 3.4.1 is available

[Andrew Dalke]

Hi all,

  I've just released chemfp 3.4.1, with pre-compiled binaries for most Linux-based OSes available at

   python -m pip install chemfp -i https://chemfp.com/packages/ --upgrade

A description of the changes is available from https://chemfp.readthedocs.io/en/latest/whatsnew.html .

Most of the changes were to improve performance for "non-standard" fingerprint lengths (that is, lengths other than for 166-bit MACCS and 881-bit PubChem keys, and for 512, 1024- and 2048-bit fingerprints).

There are two new arena methods: one to select a subset at random, the other to select two disjoint subsets, typically for train/test partitioning.

Finally, there are a couple of minor bug fixes.

Best regards,


				Andrew
				dalke at dalkescientific.com