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gfn-ff

Here are 2 public repositories matching this topic...

sb-ncbr / FFFold

FFFold: A tool for the quick optimisation of protein structures from AlphaFold DB

protonation alphafold2 gfn-ff force-field-optimisation protein-structure-optimisation

Updated Nov 12, 2025
JavaScript

LiuGaoyong / PyGFNFF

Python wrapper for GFN-FF based on F2PY. https://pypi.org/project/pygfnff

python chemistry molecule ase xtb atomic-simulation-environment gfn-ff single-point-energy

Updated Sep 30, 2025
Fortran

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