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v0.1.0 — first public release

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@jurimaxam-dotcom jurimaxam-dotcom released this 10 Jun 23:26
· 22 commits to main since this release

First public release of chemdraw-mcp.

Chat → chemical structure, fully offline. MCP server for Claude Desktop: molecule names or SMILES become publication-style 2D drawings (PNG/SVG via RDKit), reaction schemes with conditions, step-by-step curved-arrow mechanisms, schematic spectra from peak lists, plus substance lookups and an interactive in-chat structure panel.

Highlights of this release:

  • Systematic IUPAC names parse offline via OPSIN (PubChem/NCI as fallback; Java optional, never required)
  • Own reaction-scheme compositor: uniform bond scale, collision-free +/arrow, conditions above the arrow
  • English interface throughout; localized titles remain supported
  • ~300 tests in CI, including a pixel-exact e2e snapshot in headless Chromium
  • One-command installer: git clone … && ./install.sh

Unofficial — not affiliated with Revvity. ChemDraw CDXML is an optional export format, never a requirement.

🤖 Generated with Claude Code