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Sander Borgmans's Projects

molmod icon molmod

MolMod is a collection of molecular modelling tools for python.

ogre icon ogre

Optimal Grid Refinement tool to minimize the computational effort for free energy evaluation methods that require an overlap of simulated probability densities

pymbar icon pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

quickff icon quickff

A Python code to quickly derive ab initio parameterized force fields.

tamkin icon tamkin

TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

yaff icon yaff

Yaff is yet another force-field code

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