One workspace.
Five scientific-plotting powers.
Data plotting, chemical structures, 3D molecules & crystals, and vector compositing — five modules, live-linked on one infinite canvas.
macOS · Windows · Linux · Browser
Desktop or browser — pick your workflow
One codebase, two forms. Choose whatever fits how you work.
Native feel, full features
With the Python sidecar: curve fitting, 3D conformer optimization, ASE structure export, EPS vector export.
- macOS / Windows / Linux
- Python sidecar: RDKit · ASE · scipy · cairosvg
- Projects saved as .ctt (SQLite)
Runs in the browser, no install
Same codebase as desktop and installable as a PWA. It degrades gracefully offline and restores the full Python toolchain when connected to the bundled FastAPI backend.
- Open in a browser, installable as PWA
- Projects in browser localStorage
- FastAPI backend with RDKit · scipy · ASE · cairosvg
- Phone/tablet switch to a touch layout
The iOS build (iPhone, via Capacitor) is not yet on the App Store, so it is omitted here for now and will be added once published.
Five live-linked modules
One infinite-canvas workspace — edit a structure and the linked figure updates automatically.
Spreadsheet data editor
Custom delimiters, formula columns, descriptive stats and a plotting console — the data source for GraphViewer.
Import .csv .tsv .txt … ｜ Export .csv
Data plotting
Publication-quality ECharts plots with transparent backgrounds and print-resolution export; curve fitting via the Python sidecar.
Export .png .svg .pdf .eps
2D chemical structures
Ketcher-based molecule/reaction drawing; type SMILES directly and send to 3D or the canvas in one click.
Import .mol .sdf SMILES … ｜ Export .png .svg .pdf
3D molecules & crystals
VESTA-style unit cells & coordination polyhedra (3Dmol.js) with supercell expansion, handedness switch, and RDKit conformer optimization.
Import .cif .pdb .xyz VASP … ｜ Structure/image export
Vector figure compositing
Compose schematics, flowcharts, annotations and multi-panel figures on an infinite canvas, live-linked to their sources.
Export .svg .pdf .eps .png .tiff
Live-linked across modules
Data flows from DataViewer into GraphViewer to plot; structures go from Sketcher into Moleculer for 3D. Both converge in Canvas to compose the final figure, and Sketcher can also feed Canvas directly.
Live-linked across modules
Every module shares one .ctt project — objects stay linked, no more export/import round-trips.
Data flows from DataViewer into GraphViewer to plot; structures go from Sketcher into Moleculer for 3D. Both converge in Canvas to compose the final figure, and Sketcher can also feed Canvas directly.
Watch a quick walkthrough
A short video that takes you from raw data to a publication-ready figure.
Get ChemThisTry
Download the Apple Silicon build directly; other desktop platforms are available from GitHub Releases, and the web build runs right in your browser.
Desktop
First-run notice： Binaries are currently distributed unsigned / un-notarized, so your OS may show a security warning on first open — this is expected, not a corrupted file. See the README for how to allow it (macOS Gatekeeper / Windows SmartScreen).
Apple Silicon installer SHA-256: 5ef8d59b2469d7d155e633004a68e5203d22bad7aa09cc3981aa6802d53c1a17
About the project
License, feedback channels, and current status.
- License
- Apache License 2.0 (source not yet public; will be opened when ready)
- Feedback
- Bugs and suggestions are welcome on GitHub Issues
- Status
- Release / facade repo distributing binaries and docs; full source to be opened in due course
- Developers
- Siyang Li · Fenglong Li
- Web backend
- FastAPI · RDKit · scipy · ASE · cairosvg for 3D optimization, structure export, curve fitting, and vector conversion