Pinned

1. openfe openfe Public

   The Open Free Energy toolkit

   Python 107 13

2. gufe gufe Public

   grand unified free energy by OpenFE

   Python 27 6

3. ExampleNotebooks ExampleNotebooks Public

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

   Jupyter Notebook 26 4

4. Lomap Lomap Public

   Alchemical mutation scoring map

   Python 29 10

5. kartograf kartograf Public

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

   Python 16 2

6. cinnabar cinnabar Public

   Package for consistent reporting of relative free energy results

   Python 37 11