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Achievement: StarstruckAchievement: Pull SharkAchievement: Arctic Code Vault Contributor
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  1. gromacs_py gromacs_py Public

    Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a pdb file, create the simulation system (box, add water and …

    Python 38 13

  2. docking_py docking_py Public

    Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.

    Python 47 8

  3. pdb_numpy pdb_numpy Public

    Jupyter Notebook 7 2

  4. af2_analysis af2_analysis Public

    Analysis of alphafold and colabfold results

    Python 6