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1. ginsparg_thymelab_thesis ginsparg_thymelab_thesis Public

   The collection of all scripts that are relevant to my thesis project (primarily written by me, and credited to whoever else may have written the script otherwise), compiled for whoever can find use…

   Jupyter Notebook

2. motifs_benchmarking motifs_benchmarking Public

   This repository serves to store the work that is performed for benchmarking the Rosetta motifs docking algorithm against other algorithms (currently AutoDock Vina, and will be used against other al…

   Python

3. Rosetta_Drug_Discovery_Container_Data_Set Rosetta_Drug_Discovery_Container_Data_Set Public

   This is an example data set to use in the Rosetta Container on OSG

   Shell

4. rosetta_remove_duplicate_ligand_motifs_scripts rosetta_remove_duplicate_ligand_motifs_scripts Public

   This repository serves to host scripts and tutorials as a companion for using the remove_duplicate_motifs app in Rosetta.

   Python

5. thyme_lab_internship_2024 thyme_lab_internship_2024 Public

   Computational workspace for the Thyme Lab for summer 2024.

   Jupyter Notebook

6. thyme_work thyme_work Public

   Repo to allow a flow of work between Cheaha and my computer

   Python