cheminformatics
The Open Force Field Toolkit 0.5.0, adding GBSA supportPosted on 16 Aug 2019
by Jeff Wagner
Major OFF Toolkit milestone, adding support for implicit solvation.
The 0.2.0 Toolkit release, now with RDKit support!Posted on 8 Apr 2019
by Jeff Wagner
Release of major new toolkit version, with open-source cheminformatics support.
Support for open source cheminformatics toolkits is coming!Posted on 30 Sep 2018
by John Chodera
A rundown of coming changes and improvements in the openforcefield toolkit.