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1. SophieSarceau/SequenceDisplay-ML SophieSarceau/SequenceDisplay-ML Public

   Official codebase for Sequence Display: a platform that integrates large-scale sequence–activity datasets with protein language models to map activity landscapes and identify high-performance prote…

   Python 4

2. gmx_mmpbsa_py gmx_mmpbsa_py Public

   A Python script employs the MMPBSA method to integrate GROMACS and APBS software, facilitating the calculation of binding free energy between proteins and small molecules.

   Python 3 1