Minimal, streamy data structures. Push with emitter, pull with iterator, and model changing values with observable.
Parse the RXN format
RXN file renderer
📐 Cross-Platform Viewport Units (vw, vh, vmin, vmax, percentage) + useUnits hook for React, React Native and Expo.
Vue 3 UI component library
🎮 🖱️ ⌨️ Cross-Platform Input Handler for React and React Native.
🖼️ Cross-Platform Simple Style-with-States Utility (for React Native, React Native Web and Expo).
[](https://opensource.org/licenses/MIT)
Web-based molecule sketcher
TODO: Give a short introduction of your project. Let this section explain the objectives or the motivation behind this project.
Javascript version of elementary reaction expression parser
Web-based molecule sketcher
A Kekule widget for Common Lisp Jupyter
Reaction SMILES/SMIRKS parser and writer for chematic — pure-Rust RDKit alternative
A pure-Rust cheminformatics toolkit: SMILES/SMARTS, SDF/MOL V3000, ECFP/MACCS fingerprints, LogP/TPSA/QED, CIP stereo, MCS, 2D SVG depiction — no C/C++ dependencies, runs in the browser via WebAssembly.
3D coordinate generation, DREIDING force field, velocity Verlet MD, PDB/XYZ I/O, conformer RMSD — pure Rust, WASM-compatible
Molecular descriptors: MW, LogP, TPSA, QED, Gasteiger charges, CIP stereo, Murcko scaffold, tautomers, BRICS fragmentation — pure-Rust
Core types (Atom, Bond, Molecule) for chematic — pure-Rust RDKit alternative, WASM-compatible
2D molecular structure depiction as SVG: ring templates, wedge/dash stereo bonds, CPK coloring, grid layout — pure-Rust, no C/C++ dependencies
Smooth Particle Mesh Ewald (SPME) electrostatics: real-space erfc Coulomb, reciprocal-space FFT, periodic boundary conditions — pure Rust
DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics
ECFP4/6, MACCS 166-bit and topological path fingerprints with Tanimoto/Dice similarity for chematic
Local IUPAC name generation for chematic — pure-Rust, no network required
MOL/SDF V2000 and V3000 parser and writer for chematic — pure-Rust RDKit alternative
SSSR ring perception and Hückel aromaticity for chematic — pure-Rust RDKit alternative
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