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1. openfe openfe Public

   The Open Free Energy toolkit

   Python 198 32

2. gufe gufe Public

   core data models of the Open Free Energy ecosystem

   Python 37 9

3. ExampleNotebooks ExampleNotebooks Public

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

   Jupyter Notebook 52 8

4. Lomap Lomap Public

   Alchemical mutation scoring map

   Python 40 15

5. kartograf kartograf Public

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

   Python 31 7

6. cinnabar cinnabar Public

   Package for consistent reporting of relative free energy results

   Python 39 14