Presentation Open Access

Update on Parsley minor releases (openff-1.1.0, 1.2.0)

Jang, Hyesu

Researcher(s)
Maat, Jessica; Smith, Daniel; Pritchard, Benjamin; Wagner, Jeffrey; Bayly, Christopher
Supervisor(s)
Wang, Lee-Ping; Mobley, David L.

This presentation is a part of the Open Force Field Virtual Meeting 2020.

Abstract: Valence parameter re-fitting was done with (1) parameter definition adjustments and (2) newly designed QM training set and the validation of improved performance was carried out.

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