FPSim2

Getting started

  • Installation
  • Create a fingerprint database file
  • Limitations

CPU searches

  • Run Tanimoto similarity searches
  • Run Tversky searches
  • Run Tversky substructure screenouts
  • Compute a symmetric distance matrix

GPU searches

  • Run GPU similarity searches
FPSim2
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FPSim2¶

  • FPSim2 package
    • Subpackages
      • FPSim2.io package
        • Subpackages
        • Submodules
        • FPSim2.io.chem module
        • Module contents
    • Submodules
    • FPSim2.FPSim2 module
    • FPSim2.FPSim2Cuda module
    • FPSim2.base module
    • Module contents

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