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1. openfe openfe Public

   The Open Free Energy toolkit

   Python 191 30

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 47 8

4. Lomap Lomap Public

   Alchemical mutation scoring map

   Python 40 14

5. kartograf kartograf Public

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

   Python 29 5

6. cinnabar cinnabar Public

   Package for consistent reporting of relative free energy results

   Python 39 12