open force field

An open and collaborative approach to better force fields

datasets

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


Release-1 update (Jul 16, 2019)

Posted on 16 Jul 2019 by Karmen Condic-Jurkic

Details of the first force field optimization sprint


Property Estimator Meeting Summary (Jul 11, 2019)

Posted on 11 Jul 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyEstimator subgroup meeting on July 11, 2019


Property Calculator Meeting Summary

Posted on 23 May 2019 by Owen Madin and Jeff Wagner

Notes from 2019-05-23 meeting, focused on working with NIST and the ThermoML database


Torsion Datasets and Benchmarking Update

Posted on 16 May 2019 by Karmen Condic-Jurkic & Lee-Ping Wang

Update on dataset selection and QM level of theory used for generating initial torsion profiles


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


Property Calculator Meeting Summary (Jan 24, 2019)

Posted on 24 Jan 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyCalculator subgroup meeting on Jan 24, 2019


Property Calculator Meeting Summary (Oct 11, 2018)

Posted on 11 Oct 2018 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyCalculator subgroup meeting on Oct 11, 2018