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Search results for forcefield parameterization nsf grant che 1738979
forcefield-parameterization
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nsf-grant-che-1738979
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3 search results found
Openff Toolkit
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286
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Openff Fragmenter
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42
Fragment molecules for quantum mechanics torsion scans
Torsionfit
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15
Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
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