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