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Contents:

  • Introduction
  • Installing chemper
  • ChemPer API
  • Examples
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  • Welcome to chemper
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Welcome to chemperΒΆ

Contents:

  • Introduction
    • Contributors
    • Acknowledgments
    • References
  • Installing chemper
    • Prerequisites
    • Installation
  • ChemPer API
    • mol_toolkits
    • chemperGraph
    • ClusterGraph
    • SMIRKSifier
  • Examples
    • Single molecule SMIRKS
    • Make SMIRKS from clustered fragments
    • Generating reasonable SMIRKS patterns
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© Copyright 2018, Caitlin C. Bannan Revision cc82c7d5.

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