Hi all,

I have just released chemfp 1.3. It is available from 
http://dalkescientific.com/releases/chemfp-1.3.tar.gz .

Chemfp is a set of command-line tools and a Python library for working with 
cheminformatics fingerprints. It can use OEChem/OEGraphSim, RDKit, or Open 
Babel to create fingerprints in the FPS format, and it implements a high-speed 
Tanimoto search.

The software is available under the MIT license. For more information see 
http://chemfp.com/ . Documentation is available from 
http://chemfp.readthedocs.io/en/chemfp-1.3/ .

There are many changes over chemfp 1.1, which was the last release of the 
public/no-cost version of chemfp. The biggest ones are:

- Tested against the current version of all of the toolkits

- Added support for the Avalon and pattern fingerprints in RDKit

- In-memory Tanimoto searches for 166-bit MACCS keys on computers with the 
POPCNT instruction is about 30% faster.

- FPS loading is about 40% faster. As a result, file-based searches are about 
25% faster.

- The in-memory search algorithms in version 1.1 were parallelized with OpenMP, 
but the NxM k-nearest search was left out. That case is now also parallelized.

 - Some of the APIs from the commercial version were backported to 1.3, 
including the fingerprint writer API and functions for substructure fingerprint 

 - Added and improved docstrings

This release support Python 2.7 but it no longer supports Python 2.5 or Python 
2.6. The commercial version supports Python 2.7 and Python 3.5+, handles more 
than 4GB of fingerprint data, and has a binary fingerprint format for fast 

I'll be at the RDKit Users Group meeting if people want to ask me questions 
about chemfp in person.



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