smirnoff
Benchmark: OpenFF performance on small molecule energies and geometriesPosted on 25 Jul 2020
by David Hahn
Force Field benchmark on small molecule energies and geometries.
The Open Force Field 1.0 small molecule force field, our first optimized force field (codename "Parsley")Posted on 10 Oct 2019
by David Mobley, Yudong Qiu, Simon Boothroyd, Lee-Ping Wang, and John Chodera
At the end of our first year, the Open Force Field Consortium releases its first optimized force field: the Open Force Field 1.0 (codename “Parsley”) small molecule force field
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.
Webinar on the SMIRNOFF format and learned chemical perception Oct. 10Posted on 6 Oct 2018
by David L. Mobley
MolSSI fellow Caitlin Bannan gives a BioExcel webinar this Oct. 10 on her work with the Initiative