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ReAgent v0.1.0

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@rugbedbugg rugbedbugg released this 19 Jul 09:37
· 105 commits to main since this release
v0.1.0
3fa70bc

First tagged release.

  • Retrosynthetic route planning via AiZynthFinder (single-step model + MCTS).
  • Deterministic multi-objective feature layer: feasibility, availability, cost, safety, sustainability, efficiency.
  • Specialist LLM evaluator agents (Anthropic + local Ollama), hybrid score-plus-explain mode, confidence gate.
  • Real safety data via PubChem GHS (--ghs); Brenk structural-alert screen offline.
  • RAG precedent retrieval over USPTO reaction fingerprints.
  • Episodic memory and feedback-driven objective-weight tuning.
  • Evaluation and agent-accuracy harnesses. 37 tests, ruff clean.