open force field

An open and collaborative approach to better force fields


Announcing two new releases!

Posted on 27 Oct 2020 by David Mobley, Karmen Condic-Jurkic

Open Force Field Initiative releases the latest Parsley update (OpenFF-1.3.0) and OpenFF Toolkit version 0.8.0.

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.