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SIML: a fast SIMD implementation of LINGO chemical similarities

eagle-i ID


Resource Type

  1. Software


  1. Resource Description
    SIML ("Single-Instruction, Multiple-LINGO") is a library containing implementations of a fast SIMD algorithm for calculating the LINGO chemical similarity metric (described in an upcoming publication). This method, currently implemented for x86 CPUs (non-vectorized) and NVIDIA GPUs, is several times faster than existing LINGO implementations for the CPU, and two orders of magnitude faster when run on a GPU. Keywords: chemical similarity, GPU
  2. Contact
    Pande, Vijay
  3. Contact
    Haque, Imran
  4. Used by
    Stanford University
  5. Operating System
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