Welcome to pySIML’s documentation!

Contents:

• Introduction to pySIML
• Installing pySIML
  • Prerequisites
  • Setup Procedure
• pySIML Concepts
  • Basics of LINGO
  • pySIML Computation Model
• Preprocessing SMILES in pySIML
  • The Short Version
  • The Long Version
  • pysiml.compiler - Transforming SMILES strings into SIML internal representations
• Similarity calculations with pySIML
  • Generic API for computing LINGOs with pySIML
  • Example of computing similarities with pySIML
  • pysiml.CPULingo - Computing LINGO similarities on a CPU
  • pysiml.GPULingo - Computing LINGO similarities on a CUDA-capable GPU
  • pysiml.OCLLingo - Computing LINGO similarities on an OpenCL-capable GPU or CPU
• References

Indices and tables

• Index
• Module Index
• Search Page