15 packages matching “inchikey”
inchi-js
v0.2.0 · 2 months ago
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.
No known vulnerabilities
chemical-mixtures
v2.0.4 · 1 year ago
Utilities for chemical mixtures
No known vulnerabilities
@sura_ai/chemistry
v0.1.0 · 3 months ago
MCP server for chemical compound metadata. Search PubChem, resolve CAS numbers, and look up compounds by CID / InChIKey / name.
No known vulnerabilities
pubchem-cli
v0.1.7 · 4 months ago
PubChem in your terminal.
No known vulnerabilities
pubchem-mcp
v0.1.1 · 3 months ago
Production-ready Model Context Protocol server for PubChem chemical data (PUG-REST + PUG-View).
No known vulnerabilities
webchemjs
v2.0.0 · 9 years ago
A JavaScript port of the webchem package
No known vulnerabilities
openchem
v0.2.17 · 6 months ago
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.
No known vulnerabilities
@vallydia-data/ingredient-register
v1.1.0 · 26 days ago
Typed loader for the Vallydia Ingredient-Evidence Register: evidence-graded cosmetic & research ingredients.
No known vulnerabilities
rdkit-agent
v0.1.1 · 4 months ago
Agent-first cheminformatics CLI using Node.js + RDKit WASM
No known vulnerabilities
@drvibeai/clinical-apis-mcp
v0.3.0 · 2 months ago
MCP server exposing free public clinical/biomedical APIs: ClinicalTrials.gov v2, PubMed, Europe PMC (incl. medRxiv/bioRxiv preprints), openFDA, RxNorm, ICD-10-CM, MedlinePlus, NPI Registry, OpenAlex, PubChem, DailyMed, ChEMBL, MyGene.info, Open Targets, G
No known vulnerabilities
@ideaconsult/qubounds-viewer
v0.1.1 · 2 days ago
Embeddable React viewer for conformal prediction intervals (qu-bounds).
No known vulnerabilities
@datafire/ideaconsult_nanoreg
v3.0.0 · 5 years ago
DataFire integration for eNanoMapper database
No known vulnerabilities
@datafire/ideaconsult_enanomapper
v3.0.0 · 5 years ago
DataFire integration for eNanoMapper database
No known vulnerabilities
inchi
v1.0.4 · 12 years ago
International Chemical Identifier (InChI) for node.js programs
No known vulnerabilities
@manufac-analytics/inchi
v2.0.0-alpha.4 · 4 years ago
InChI for NodeJS/TypeScript
No known vulnerabilities