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1. graeter-group/grappa graeter-group/grappa Public

   A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM

   Python 59 5

2. graeter-group/bbflow graeter-group/bbflow Public

   A flow matching model for generating conformational ensembles of protein backbones.

   Python 35 1

3. graeter-group/flips graeter-group/flips Public

   Flexibility-conditioned protein structure design

   Python 32

4. hits-mli/gafl hits-mli/gafl Public

   Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation

   Python 17 3

5. graeter-group/backflip graeter-group/backflip Public

   Fast protein backbone flexibility prediction model

   Python 34 6