Science Updates
Interchange project update
Posted on 10 Nov 2021
by Matt Thompson
Interchange: Enabling the broader use of OpenFF force fields
How to train your force field 2: Bespoke fit
Posted on 20 Oct 2021
by Joshua Horton
Generating bespoke torsion parameters on the fly.
Surrogate-enabled Bayesian sampling of force field parameters
Posted on 3 Sep 2021
by Owen Madin
Building and sampling surrogate models of physical properties in the OpenFF workflow
Searching chemical space
Posted on 26 Jul 2021
by Trevor Gokey
Find new parameters by programmatic manipulation of SMARTS
How to train your force field
Posted on 1 Jul 2021
by Simon Boothroyd
Building a force field from entirely within a Jupyter notebook
Infrastructure Lessons-learned
Posted on 19 May 2021
by Jeff Wagner
Nearly three years of organizational practices on the OpenFF infrastructure team
Version 1.1.0 "Parsley" Update
Posted on 3 Mar 2020
by Hyesu Jang
Details of Version 1.1.0 “Parsley”
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
Release-1 update (Aug 15, 2019)
Posted on 20 Aug 2019
by Karmen Condic-Jurkic
Details of the first force field optimization sprint and meeting notes from #release-1 call on Aug 15, 2019
1 of 5
Next Page