synrxn

Contents

  • Getting Started
  • Tutorials and Examples
  • API Reference
  • References
synrxn
  • Welcome to synrfp documentation!
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Welcome to synrfp documentation!

This is documentation for synrfp version 0.0 (release 0.0.1).

Contents

  • Getting Started
    • Installation
    • Quick sanity checks
  • Tutorials and Examples
    • Single reaction — token + fingerprint
    • Inspect tokenizer tokens and Δ (deltas)
    • Batch encoding
    • Persisting fingerprints
    • Quick ML baseline: RandomForest classifier
    • Comparing sketchers and computing similarity
  • API Reference
    • Top-level API: synrfp
    • Graph utilities: synrfp.graph
    • Tokenizers: synrfp.tokenizers
    • Sketchers: synrfp.sketchers
    • Batch encoding: synrfp.encoder
  • References
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