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@degrado-lab

DeGrado Lab Official

Official Organization for Up-to-date DeGrado Lab Software

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  1. easyMD easyMD Public

    A simple tool for creating and running MD simulations, using Jupyter and OpenMM

    Python 12 1

  2. PoseBusters-Benchmark PoseBusters-Benchmark Public

    This repo contains the structure prediction benchmarking dataset from PoseBusters (https://doi.org/10.48550/arXiv.2308.05777).

    Python 5

  3. Sculpt Sculpt Public

    An iterative algorithm for geometry-optimized enzyme design.

    Python 3

  4. combs_ligand_database combs_ligand_database Public

    Parse a mirror of the PDB for protein-ligand contacts.

    Python 2 1

  5. PyCCCP PyCCCP Public

    A Python implementation of the Coiled Coil Crick Parameterization (CCCP) library.

    Jupyter Notebook 2

  6. Ribbon Ribbon Public

    A python package to build software workflows for protein design

    Python 1

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