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pvalle6 / sMLDE

This is the repository for the Engineered Protein Directed Evolution Project.

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Structure-informed MLDE for GB1

  1. Scripts and Dependencies for Sequence Input Feature Generation
    • Contains working scripts to run zeroShot on HPC
    • Contains unworking/untested scripts for glycanDock use on HPC
    • Contains original working scripts for FlexPepDockUse
  2. Scripts and Dependencies to Calculate RMSD on HPC / 5. Scripts and Dependencies to Run FPD on HPC
    • Contains scripts for analyzing Wittmann Data and pulling encodings appropriately for Training and Testing Models

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This is the repository for the Engineered Protein Directed Evolution Project.

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