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Popular repositories

  1. OGRe OGRe Public

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

    Python 3

  2. SupportingInformation SupportingInformation Public

    This repository contains additional supporting information for published manuscripts.

    Jupyter Notebook 2

  3. molmod molmod Public

    Forked from molmod/molmod

    MolMod is a collection of molecular modelling tools for python.

    Python

  4. yaff yaff Public

    Forked from molmod/yaff

    Yaff is yet another force-field code

    Python

  5. tamkin tamkin Public

    Forked from molmod/tamkin

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

    Python

  6. QuickFF QuickFF Public

    Forked from molmod/QuickFF

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

    Python