chemfp packages

Chemfp has two development tracks. The chemfp 1.x track is a source code distribution released under the open source/MIT license. The chemfp 3.x track is the commercial distribution, typically used under a proprietary license.

Open Source track

Chemfp 1.x is the no-cost/open source chemfp release track. It only supports Python 2, and the most recent version only supports Python 2.7. It is being maintained only to provide a good reference baseline for benchmarking other similarity search tools.

For chemfp-1.x source distributions, see http://dalkescientific.com/releases/ or use PyPI.

chemfp 1.6

chemfp 1.6.1

Commercial track

Chemfp 3.x and onwards the commercial release track, with better performance and more features then chemfp 1.x. It supports Python 3, and version 3.4 supports Python 2.7 as well. Newer versions support all mainline Python versions available at release time.

The pre-compiled "wheel" packages for Linux-based OSes are distributed under the Chemfp Base License Agreement. The following features are disabled unless you have received and configured a license key from Dalke Scientific:

• generate FPB files;
• create in-memory fingerprint arenas with more than 50,000 fingerprints;
• use the simarray functionality to process fingerprint sets with more than 20,000 fingerprints, unless they are licensed FPB files as described below;
• use other search methods on fingerprint arenas with more than 50,000 fingerprints, unless they are licensed FPB files as described below;
• perform Tversky searches;
• perform Tanimoto searches of FPS files with more than 20 queries at a time.

Other licensing, including source-available and open-source, is available. See chemfp.com.

chemfp 3.4

chemfp 3.4.1

chemfp 3.5.1

chemfp 4.0b3

chemfp 4.0

chemfp 4.1b1

chemfp 4.1

chemfp 4.2b2

chemfp 4.2b3

chemfp 4.2