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torsions

Here are 2 public repositories matching this topic...

choderalab / torsionfit

Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.

force-field bayesian-inference uncertainty-quantification forcefield torsions nsf-grant-che-1738979 forcefield-parameterization

Updated Sep 20, 2021
Rich Text Format

monogenics / code

mathematics monogenics torsions

Updated Dec 6, 2017
Python

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