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This presentation is a part of the Open Force Field Virtual Meeting 2020. Abstract: This talk provides an overview of potential future directions in force field development within the Open Force Field Initiative. These include self-consistent parameterization of biopolymers and other biomolecules, Bayesian inference modelling and machine learning applications. The latter include accelerating partial charge and torsion assignment, integrating machine learning potentials and differential typing.
machine learning, force fields, Bayesian inference, Open Force Field Initiative, biomolecules
machine learning, force fields, Bayesian inference, Open Force Field Initiative, biomolecules
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