open force field

An open and collaborative approach to better force fields

ForceBalance

Version 1.1.0 "Parsley" Update (March 03, 2020)

Posted on 3 Mar 2020 by Hyesu Jang

Details of Version 1.1.0 “Parsley”


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


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


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 Estimator Meeting Summary (Jun 27, 2019)

Posted on 8 Jul 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyCalculator subgroup meeting on June 27, 2019


Torsion Meeting Summary (May 28, 2019)

Posted on 28 May 2019 by Karmen Condic-Jurkic and Jeffrey Wagner

Summary from torsion subgroup meeting on May 28, 2019


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


Torsion Meeting Summary (Apr 16, 2019)

Posted on 16 Apr 2019 by Karmen Condic-Jurkic and Jeffrey Wagner

Summary from torsion subgroup meeting on April 16, 2019


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