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ReAgent v0.1.0
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.