Interactively build, test and debug SMARTS queries and reactions. Static-file web application with live results. Like regex101.com but for SMARTS.
- Quires write SMARTS patterns and see highlighted matches across multiple molecules in real-time
- Reactions query reactions with separate reactant/product highlights and per-fragment
- Syntax explanation tree-sitter powered breakdown atom, bond, and recursive expression
- Molecule examples druglike compounds, amino acids, peptides, RNA/DNA bases, ChEMBL, macrocycles examples
- and self-hostable (no backend, no data storage)
git clone
make
make build-wasm
make dev PORT=5173Open http://localhost:5173/ and start typing SMARTS.
Build the static site, then serve with any web server
make build-wasm build
# output in build/Or use ./docker/Dockerfile to build and host the application.
You need emscripten to compile the tree-sitter SMARTS grammar
# For debian-based
sudo apt install emscripten| Package | Purpose |
|---|---|
| rdkit | RDKit WASM molecule rendering and SMARTS substructure search |
| paper.js | Vector graphics for highlight outlines |
| tree-sitter | SMARTS grammar powers the syntax explain panel |
| codemirror | Code editor with syntax highlighting and inline error markers |
| sveltekit + svelte | Web framework, compiles to a static website |
| tailwindcss + shadcn-svelte + lucide | UI Components |