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GPU NCI

  • cuNCI Version 1.0

    contact: Eric Henon
  • A GPU accelerated implementation of NCI calculations using pro-molecular density Pleasese, cite:

    Rubez G, Etancelin JM, Vigouroux X, Krajecki M, Boisson JC, Henon E., J. Comput. Chem. 2017, 38, 1071

    Program Download link here