open force field

An open and collaborative approach to better force fields


Benchmark: OpenFF performance on small molecule energies and geometries

Posted 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 support

Posted 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. 10

Posted 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