stk

stk

  • Introduction
  • Basic Examples
  • Cookbook
  • Developer Guide

Molecules

  • Building Block
  • Constructed Molecule
  • Functional Groups
  • Populations

Topology Graphs

  • Polymer
  • Organic Cage
  • Covalent Organic Framework
  • Host Guest Complex
  • Macrocycle
  • Rotaxane
  • Adding Topology Graphs

Calculators

  • Introduction
  • Optimizers
  • Energy Calculators
  • Compound Calculators

Evolutionary Algorithm

  • Introduction
  • Fitness Calculators
  • Fitness Normalizers
  • Selection
  • Mutation
  • Crossover
  • Termination
  • Plotting
stk
  • Docs »
  • stk.molecular package
  • View page source

stk.molecular package¶

Subpackages¶

  • stk.molecular.molecules package
    • Submodules
      • Building Block
      • Constructed Molecule
  • stk.molecular.topology_graphs package
    • Subpackages
      • stk.molecular.topology_graphs.cage package
        • Submodules
          • Organic Cage
    • Submodules
      • Covalent Organic Framework
      • Host Guest Complex
      • Macrocycle
      • Polymer
      • Rotaxane
      • Adding Topology Graphs
        • Why is both VertexData and Vertex needed?

Submodules¶

  • Functional Groups
    • Adding Functional Groups
  • Extending stk: Adding complex reactions.

© Copyright 2018, Lukas Turcani

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