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  1. MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

    HTML 24 47

  2. A distributed compute and database platform for quantum chemistry.

    Python 105 37

  3. Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 228 54

  4. An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

    Python 119 57

  5. A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

    Python 119 43

  6. OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C++ 915 386

233 contributions in the last year

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Contribution activity

November 2021

Created 1 commit in 1 repository
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