International Chemical Identifier (InChI) for node.js programs
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.
InChI for NodeJS/TypeScript
tiny server to convert inchi<->molecule
Cheminformatics toolkit for DuckDB - SMILES, InChI, MOL/SDF, PDB, SELFIES, Wildman-Crippen LogP, Morgan/ECFP fingerprints, and Tanimoto similarity from SQL
Cheminformatics toolkit for DuckDB - SMILES, InChI, MOL/SDF, PDB, SELFIES, Wildman-Crippen LogP, and Morgan/ECFP fingerprints from SQL
Utilities for chemical mixtures
molecule (chemistry)
A fast TypeScript / JavaScript chemistry toolkit for working with molecular structures: parsing & generation (SMILES, MOL, SDF), canonicalization, pattern matching (SMARTS), 2D rendering, and molecular descriptors.
Agent-first cheminformatics CLI using Node.js + RDKit WASM
Model Context Protocol server for PubChem chemical database access
Production-ready Model Context Protocol server for PubChem chemical data (PUG-REST + PUG-View).
Model Context Protocol server for PubChem chemical database access
Web-based molecule sketcher
A comprehensive Model Context Protocol server for accessing ChEMBL chemical database with 27 specialized tools for drug discovery, chemical informatics, and bioactivity analysis
CureEngine MCP Server - expose cancer research knowledge base (3.26M papers, 121K clinical trials, 8.1M knowledge graph edges, 63 medicinal plants, enriched drug profiles) as Model Context Protocol tools for Claude, Cursor, and other AI agents. Hosted API
A comprehensive Model Context Protocol server for accessing ChEMBL chemical database with 27 specialized tools for drug discovery, chemical informatics, and bioactivity analysis
PubChem in your terminal.
A comprehensive Model Context Protocol server for accessing SureChEMBL chemical patent database with tools for patent search, chemical discovery, and structure analysis
Chemical Reaction Equation Balancer - JavaScript Library
JavaScript/TypeScript port of PubChemPy for chemical compound data from PubChem
Web-based molecule sketcher
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.
WASM implementation of Indigo organic chemistry toolkit web service for Ketcher
A compact binary representation for InChI Keys, reducing their size from 27 bytes to 9-14 bytes
A Rust crate for parsing, manipulating, and analyzing molecular formulas.
Tool to generate color swatches for chemical compounds
A thin rust wrapper around libinchi
HS code prediction for chemical products — Akinator-style interactive classification with rule-based and LLM hybrid engine
Rust data structures and client for the PubChem API.
A parser for chemical formulas.
The EnzymeML MCP Server
WebAssembly bindings for hs-predict — HS code prediction for chemical products
A library for working with molecules and molecular dynamics simulations
qsar: a small Rust library for computing molecular descriptors and integrating with Linfa for QSAR modeling.
Chemical bond primitives for RustUse
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