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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 42 15

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 53 8

3. pdb_numpy pdb_numpy Public

   Jupyter Notebook 7 2

4. af_analysis af_analysis Public

   Analysis of alphafold and colabfold results

   Jupyter Notebook 10 3

5. SST2 SST2 Public

   SST2 implementation in openmm

   Jupyter Notebook 3