stk

stk

  • Introduction
  • Basic Examples
  • Cookbook
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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
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  • stk.molecular.topology_graphs package
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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?

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