Bayesian parameterization engine for molecular mechanics forcefields
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This project contains tools, manuscripts, and examples demonstrating the parameterization of molecular mechanics forcefields using Bayesian inference and Markov chain Monte Carlo.

This project contains tools, manuscripts, and examples demonstrating the parameterization of molecular mechanics forcefields using Bayesian inference and Markov chain Monte Carlo.

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John Chodera

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SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

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Version 4.2.2. Website design by Viewfarm. Icons created by SimTK team using art by GraphBerry from www.flaticon.com under a CC BY 3.0 license. Forked from FusionForge 6.0.5.
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