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1. GroupsGrimoire GroupsGrimoire Public

   Our group's tools, gadgets and sorceries for molecular modeling, protein engineering, virtual screening and machine learning

2. protein_design_functions protein_design_functions Public

   Handy functions for protein design with pyRosetta

   Python

3. mol_data_prep mol_data_prep Public

   A class with handy methods for preparing datasets of molecules for Machine Learning procedures

   Python

4. Data_convex_hull Data_convex_hull Public

   Creates a convex hull arround a training set and defines which observations from another set are within the hull

   Python 1

5. GAPO GAPO Public

   In silico protein engineering using Genetic Algorithms and pyRosetta

   Python 1

6. consensus_design consensus_design Public

   Scripts for consensus protein design using pyRosetta

   Python 3 1