open force field

An open and collaborative approach to better force fields

benchmarking

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.


Property Calculator Meeting Summary (October 17, 2019)

Posted on 17 Oct 2019 by Jeff Wagner and Owen Madin

Summary from Property Calculator subgroup meeting on October 17, 2019


Webinar by Vytautas Gapsys: Benchmarking binding free energy calculations for protein-ligand systems (Aug 21, 2019)

Posted on 19 Aug 2019 by Karmen Condic-Jurkic

Vytautas Gapsys will give a talk at UC Irvine on Aug 21 at 11 am (PT) on his work on binding free energy calculations.


Property Calculator Meeting Summary (May 02, 2019)

Posted on 2 May 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyCalculator subgroup meeting on May 02, 2019