Presentation Open Access

Open Force Field Bespoke-Fit Update 2021

Horton, Joshua; Cole, Daniel; Anwar, Jamshed; Boothroyd, Simon; Mobley, David; Wagner, Jeffrey

A progress update on the OpenFF-BespokeFit package was delivered to the Open Force Field Initiative advisory board.

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Publication date:
August 9, 2021
DOI:
10.5281/zenodo.5172174

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10.5281/zenodo.5172174

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Keyword(s):
Open Force Field Initiative Force Field OpenFF BespokeFit OpenFF Toolkit Parameter optimizaton
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