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@apes-soft

Advanced Potential Energy Surfaces Software

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  1. OMM_Amoeba_Scripts OMM_Amoeba_Scripts Public

    Set of scripts for setting up, minimizing, and running AMOEBA simulations entirely with OpenMM

    Python 3 6

  2. apes-soft.github.io apes-soft.github.io Public

    Project Web Pages

  3. benchmarks benchmarks Public

    A number of use cases that can be used to benchmark AMOEBA codes.

    Shell

  4. tinker tinker Public

    Forked from TinkerTools/tinker

    TINKER Software Tools for Molecular Design

    C

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