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
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