v0.2.0 — Anki flashcards, titration curves, 3D viewer & more

First PyPI release — install with nothing but uvx chemdraw-mcp.

New since v0.1.0:

• Anki flashcard export (export_anki_deck): ready-to-import .apkg decks with rendered structures, reaction schemes and spectra embedded; reversed cards (one note, both directions), cloze notes, per-card tags and Parent::Child subdecks; deterministic IDs so re-exports update instead of duplicate. Optional delivery straight into the running Anki via the AnkiConnect add-on
• Curated starter decks (export_curated_deck): classic analgesics and Ph.Eur. identity reactions — every structure formula-verified in CI
• Titration curves (generate_titration_curve): exact charge-balance pH curves with equivalence points, buffer points and indicator bands; polyprotic acids supported
• Species distribution (generate_species_distribution): protonation species over pH with pKa crossovers
• Molecule comparison (compare_molecules): 2-4 structures side by side, MCS scaffold neutral, differences highlighted
• 3D viewer (generate_3d): rotatable ball-and-stick conformers (ETKDG + force field) in a concave in-panel viewer, plus SDF export
• Stereo annotation: CIP descriptors (R/S, E/Z) on 2D drawings via annotate_stereo
• Collision-free spectrum peak labels, panel views that always fill their frame, fully English interface

🤖 Generated with Claude Code

v0.1.0 — first public 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