Open Free Energy

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1. openfe openfe Public

   The Open Free Energy toolkit

   Python 320 52

2. ExampleNotebooks ExampleNotebooks Public

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

   Jupyter Notebook 68 14

3. gufe gufe Public

   core data models of the Open Free Energy ecosystem

   Python 44 13

4. kartograf kartograf Public

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

   Python 38 7

5. cinnabar cinnabar Public

   Package for consistent reporting of relative free energy results

   Python 42 15

6. Lomap Lomap Public

   Alchemical mutation scoring map

   Python 45 16