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1. openfe openfe Public

   The Open Free Energy toolkit

   Python 167 27

2. gufe gufe Public

   core data models of the Open Free Energy ecosystem

   Python 36 10

3. ExampleNotebooks ExampleNotebooks Public

   Notebooks demonstrating how to do simple tasks related to free energy calculations.

   Jupyter Notebook 45 5

4. Lomap Lomap Public

   Alchemical mutation scoring map

   Python 36 13

5. kartograf kartograf Public

   This package contains tools for setting up hybrid-topology FE calculations

   Python 28 4

6. cinnabar cinnabar Public

   Package for consistent reporting of relative free energy results

   Python 39 13