stk
latest

stk

  • Construction Overview
  • Basic Examples
  • Video Tutorials

Molecules

  • Building Block
  • Constructed Molecule
  • Functional Groups
  • Functional Group Factories
    • Overview and Examples
    • Alcohol Factory
    • Aldehyde Factory
    • Amide Factory
    • Boronic Acid Factory
    • Bromo Factory
    • Carboxylic Acid Factory
    • Dibromo Factory
    • Difluoro Factory
    • Diol Factory
    • Fluoro Factory
    • Iodo Factory
    • Primary Amino Factory
    • Ring Amine Factory
    • Secondary Amino Factory
    • SMARTS Functional Group Factory
    • Terminal Alkene Factory
    • Terminal Alkyne Factory
    • Thioacid Factory
    • Thiol Factory
  • 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
  • Mutation
  • Crossover
  • Plotting

Modules

  • Modules
stk
  • Functional Group Factories
  • Edit on GitHub

Functional Group Factories

  • Overview and Examples
  • Alcohol Factory
  • Aldehyde Factory
  • Amide Factory
  • Boronic Acid Factory
  • Bromo Factory
  • Carboxylic Acid Factory
  • Dibromo Factory
  • Difluoro Factory
  • Diol Factory
  • Fluoro Factory
  • Iodo Factory
  • Primary Amino Factory
  • Ring Amine Factory
  • Secondary Amino Factory
  • SMARTS Functional Group Factory
  • Terminal Alkene Factory
  • Terminal Alkyne Factory
  • Thioacid Factory
  • Thiol Factory
Previous Next

© Copyright 2023, Lukas Turcani. Revision ee9c3ccf.

Built with Sphinx using a theme provided by Read the Docs.
Read the Docs v: latest
Versions
latest
stable
Downloads
On Read the Docs
Project Home
Builds