ChemPer
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Contents:

  • Introduction
  • Installing chemper
  • ChemPer API
  • Examples
ChemPer
  • Docs »
  • Welcome to chemper
  • Edit on GitHub

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 00d0112e.

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