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  1. pyrosetta_onboarding pyrosetta_onboarding Public

    pyRosetta exercises for 2021 UCSF Biophysics Onboarding

    Jupyter Notebook 1 1

  2. PyPivoter PyPivoter Public

    Count and/or list cliques of a graph using the Pivoter algorithm of Jain and Seshadhri.

    Cython 1

  3. spherediff spherediff Public

    Sample from the isotropic diffusion kernel on the surface of an n-dimensional unit sphere

    Python 1

  4. hsbbridge hsbbridge Public

    A transition path sampling (TPS) algorithm that enables double-ended Brownian trajectories to be sampled with hard sphere boundary conditions.

    C++

  5. smarts_to_combs_csv smarts_to_combs_csv Public

    Search the PDB for ligands that match a SMARTS string and generate input for COMBS.

    Python

  6. Metalprot_learning Metalprot_learning Public

    Forked from lonelu/Metalprot_learning

    Python