Commit History

  1. README: full dev/ops doc Running

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  2. expand thermo to all 10 molecules (IR stays <=4-atom)

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    db6d713
  3. expand thermo to all 10 molecules (IR stays <=4-atom)

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    8696938
  4. expand thermo to all 10 molecules (IR stays <=4-atom)

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  5. expand thermo to all 10 molecules (IR stays <=4-atom)

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  1. add formaldehyde + H2O2 IR/thermo (validated)

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  2. add formaldehyde + H2O2 IR/thermo (validated)

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  3. add formaldehyde + H2O2 IR/thermo (validated)

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  4. add formaldehyde + H2O2 IR/thermo (validated)

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  5. clarification node: converse for out-of-scope molecules / unavailable tasks; per-task availability; no-derivative matching

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  6. LLM intent router (agentic, robust naming) as primary; keyword only as fallback

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    351ea78
  7. clean calculator label for live runs (parse type/method from repr)

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  8. drop methane IR (unstable numerics); spectra = water/ammonia/CO2

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  9. v2: precomputed heavy runs (water so far)

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  10. v2: NL parsing + rich output + cached heavy tasks

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  11. v2: NL parsing + rich output + cached heavy tasks

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  12. v2: NL parsing + rich output + cached heavy tasks

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  13. CORS: allow *.vercel.app origins (prod alias + preview deploys)

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  14. ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy)

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  15. initial commit

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