infrastructure
Interchange project updatePosted on 10 Nov 2021
by Matt Thompson
Interchange: Enabling the broader use of OpenFF force fields
How to train your force field 2: Bespoke fitPosted on 20 Oct 2021
by Joshua Horton
Generating bespoke torsion parameters on the fly.
Surrogate-enabled Bayesian sampling of force field parametersPosted on 3 Sep 2021
by Owen Madin
Building and sampling surrogate models of physical properties in the OpenFF workflow
How to train your force fieldPosted on 1 Jul 2021
by Simon Boothroyd, updated 11 July 2023 by Brent Westbrook and Alexandra McIsaac
Building a force field from entirely within a Jupyter notebook
Infrastructure Lessons-learnedPosted on 19 May 2021
by Jeff Wagner
Nearly three years of organizational practices on the OpenFF infrastructure team
Torsion Meeting Summary (May 14, 2019)Posted on 14 May 2019
by Karmen Condic-Jurkic and Jeffrey Wagner
Summary from torsion subgroup meeting on May 14, 2019
Torsion Meeting Summary (Mar 5, 2019)Posted on 5 Mar 2019
by Karmen Condic-Jurkic and Jeffrey Wagner
Summary from torsion subgroup meeting on March 5, 2019