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1. meyresearch/meze meyresearch/meze Public

   meze: A Metalloenzyme parameterisation program

   Python 2

2. meyresearch/metalloenzyme_rbfe meyresearch/metalloenzyme_rbfe Public

   Python 9

3. meyresearch/amino_acid_distances_paper meyresearch/amino_acid_distances_paper Public

   TeX 1

4. meyresearch/alchemistry_with_betalactamases meyresearch/alchemistry_with_betalactamases Public

   Shell

5. ligand_rbfe ligand_rbfe Public

   Example repo for setting up ligand RBFE simulations

   Jupyter Notebook

6. nessie nessie Public

   nessie: python package for non-equilibrium switching (NES) and dynamical non-equilibrium molecular dynamics (D-NEMD)

   Python