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  1. Treecodes/BaryTree Treecodes/BaryTree Public

    BaryTree is a library for fast computation of N-body interactions on multiple GPUs, based on barycentric Lagrange and Hermite polynomial interpolation treecodes, using OpenACC for GPU parallelization.

    C 7 8

  2. Treecodes/TABI-PB Treecodes/TABI-PB Public

    TABI-PB (treecode-accelerated boundary integral) solves the linear Poisson-Boltzmann equation. This TABI-PB repo serves as a submodule to APBS, and also works as a standalone distribution.

    C++ 7 1

  3. Electrostatics/apbs Electrostatics/apbs Public

    Software for biomolecular electrostatics and solvation calculations

    C 96 26