https://github.com/quantalabs/simmetrics

Implementation of chemical similarity metrics in Rust
https://github.com/quantalabs/simmetrics

Last synced: about 1 year ago
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Implementation of chemical similarity metrics in Rust

• Host: GitHub
• URL: https://github.com/quantalabs/simmetrics
• Owner: Quantalabs
• Created: 2024-07-03T21:42:12.000Z (about 2 years ago)
• Default Branch: main
• Last Pushed: 2025-07-03T19:48:28.000Z (about 1 year ago)
• Last Synced: 2025-07-03T20:34:14.723Z (about 1 year ago)
• Language: Rust
• Homepage:
• Size: 79.1 KB
• Stars: 1
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
# 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.