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1. LLNL/ddcMD LLNL/ddcMD Public

   A fully GPU-accelerated molecular dynamics program for the Martini force field

   C 33 6

2. LLNL/ddcMDconverter LLNL/ddcMDconverter Public

   A python package to convert GROMACS files to ddcMD inputs

   Python 2

3. VinaLC VinaLC Public

   A parallel molecular docking program based on AutoDock Vina

   C++ 19 11

4. conveyorlc conveyorlc Public

   A pipeline to do virtual screening

   C++ 10 4

5. LLNL/cardioid LLNL/cardioid Public

   Cardiac simulation toolkit.

   C++ 58 17

6. mdanalysis mdanalysis Public

   Forked from MDAnalysis/mdanalysis

   MDAnalysis is a Python library to analyze molecular dynamics trajectories.

   Python 5