Science Updates
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 (July 26, 2021)
Posted on 26 Jul 2021
by Trevor Gokey
Find new parameters by programmatic manipulation of SMARTS
Do you want to train a force field? (July 01, 2021)
Posted on 1 Jul 2021
by Simon Boothroyd
Building a force field from entirely within a Jupyter notebook
Infrastructure Lessons-learned (May 19, 2021)
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 (March 03, 2020)
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
Property Estimator Meeting Summary (Aug 08, 2019)
Posted on 8 Aug 2019
by Karmen Condic-Jurkic
Summary from PropertyEstimator subgroup meeting on August 8, 2019
Torsion Meeting Summary (August 6, 2019)
Posted on 6 Aug 2019
by Jeffrey Wagner and Karmen Condic-Jurkic
Summary from torsion subgroup meeting on August 6, 2019
Property Estimator Meeting Summary (Jul 25, 2019)
Posted on 26 Jul 2019
by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner
Summary from PropertyEstimator subgroup meeting on July 25, 2019
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