Stream reader for MDL, SDF, molfile chemistry data formats
InChI engine in TypeScript: convert Molfile ↔ InChI ↔ InChIKey. Wraps the official IUPAC InChI C library compiled to WebAssembly and base64-embedded so the package is self-contained.
Molfile parser/visualizer in JavaScript
Convert molecules between JME and Molfile formats
A component to display chemical structure for NMR spectra assignments
Utilities for chemical mixtures
React components integrating OpenChemLib
molecule (chemistry)
Recommended plugins for NMRium, loaders of common formats like bruker or jcamp, and some post-processing plugins
Lookup data in the OSM spreadsheet
A Kekule widget for Common Lisp Jupyter
Web-based molecule sketcher
NMR chemical shift predictor
The core of aromaticity. All the functions for existing and future applications.
Web-based molecule sketcher
Automatic assignment for Nuclear Magnetic Resonance spectra for small molecules
InChI for NodeJS/TypeScript
```console yarn add @symeres/openchemlib-viewer-react ```
NMR chemical shift predictor
Model Context Protocol server for Chemotion ELN (electronic lab notebook). Search, read, and write samples, reactions, research plans, wellplates, and collections from any MCP-aware AI client.
Chemical substructure search library for node js
WASM implementation of Indigo organic chemistry toolkit web service for Ketcher
Manipulate molecules
SDF parser
DEPRECATED: VMD molfile FFI bindings (DCD, PDB, XYZ) formerly used by molar. Replaced by native Rust IO in molar >=1.2.0.
Open, reproducible calculation of assembly indices
Redesigned COSMolKit core with value-style molecule state and explicit topology operation contracts
Smolfile specification and parser for smolvm microVM workloads