sim-metrics 0.1.0

Implementation of chemical similarity metrics
Documentation

Similarity Metrics

Implementation of 8 similarity metrics in rust, with benchmarks:

  • Tanimoto Coefficient
  • Euclidean Distance
  • Hamming Distance
  • Dice Coefficient
  • Cosine Similarity
  • Russell-RAO Coefficient
  • Forbes Coefficient
  • Soergel Distance

Also contains utilities to load and process SMILES data into various fingerprints, and functions optimized for generating similarity measures on large amounts of data.