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stk

  • Construction Overview
  • Basic Examples
  • Video Tutorials

Molecules

  • Building Block
  • Constructed Molecule
  • Functional Groups
  • Functional Group Factories
  • Key Makers
  • Reactions
  • Reaction Factories
  • Writers

Topology Graphs

  • Topology Graph Components
  • Polymers
  • Small Molecules
  • Organic & Metal-Organic Cages
  • Covalent Organic Frameworks
  • Metal Complexes
  • Host Guest Complex
  • Macrocycle
  • [n]Rotaxane
  • Adding Topology Graphs
  • Optimizers

Molecular Databases

  • Molecule
  • Constructed Molecule
  • Value

Evolutionary Algorithm

  • Overview
  • Basic Example
  • Intermediate Example
  • Fitness Calculators
  • Fitness Normalizers
  • Selection
    • Selector
    • Above Average
    • Best
    • Filter Batches
    • Filter Molecules
    • Remove Batches
    • Remove Molecules
    • Roulette
    • Stochastic Universal Sampling
    • Tournament
    • Worst
  • Mutation
  • Crossover
  • Plotting

Modules

  • Modules
stk
  • Selection
  • View page source

Selection

  • Selector
  • Above Average
  • Best
  • Filter Batches
  • Filter Molecules
  • Remove Batches
  • Remove Molecules
  • Roulette
  • Stochastic Universal Sampling
  • Tournament
  • Worst
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