Welcome to Lomap’s documentation!

Lomap (Lead Optimisation Mapper) is a tool for planning perturbation networks for free energy calculations.

Contents:

• Getting started using Lomap
  • Generating mappings
  • Generating scores
  • Generating networks
  • Command line interface
• Lomap API guide
  • LomapAtomMapper
  • generate_lomap_network()
• Lomap Legacy API
  • DBMolecules
  • SMatrix
  • Molecule
  • MCS
  • GraphGen
• Citing Lomap

Indices and tables

• Index

• Module Index

• Search Page