🛠️ API Reference

• Data
• Fitness
  • Cost()
  • CostMultiReceptors()
  • CostMultiReceptorsOnlyVina()
  • CostOnlyVina()
• Utils
  • Atom
  • CHUNK_VINA_OUT
  • DerringerSuichDesirability()
  • GA
  • Individual
  • LargerTheBest()
  • Local
  • NominalTheBest()
  • SmallerTheBest()
  • VINA_OUT
  • compressed_pickle()
  • confgen()
  • decompress_pickle()
  • deep_update()
  • full_pickle()
  • get_sim()
  • get_similar_mols()
  • import_sascorer()
  • is_iter()
  • lipinski_filter()
  • lipinski_profile()
  • loosen()
  • make_sdf()
  • roulette_wheel_selection()
  • run()
  • tar_errors()
  • to_dataframe()
  • update_reactant_zone()