26 packages matching “InChI”
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
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
inchi-server
v0.0.1 · 12 years ago
tiny server to convert inchi<->molecule
No known vulnerabilities
@haybarn/ext-ducksmiles-h1-5-2
v202605.18.140429 · 2 months ago
Cheminformatics toolkit for DuckDB - SMILES, InChI, MOL/SDF, PDB, SELFIES, Wildman-Crippen LogP, and Morgan/ECFP fingerprints from SQL
No known vulnerabilities
@haybarn/ext-ducksmiles-h1-5-4
v202606.7.123339 · 1 month ago
Cheminformatics toolkit for DuckDB - SMILES, InChI, MOL/SDF, PDB, SELFIES, Wildman-Crippen LogP, Morgan/ECFP fingerprints, and Tanimoto similarity from SQL
No known vulnerabilities
@haybarn/ext-ducksmiles-h1-5-3
v202606.7.123339 · 1 month ago
Cheminformatics toolkit for DuckDB - SMILES, InChI, MOL/SDF, PDB, SELFIES, Wildman-Crippen LogP, Morgan/ECFP fingerprints, and Tanimoto similarity from SQL
No known vulnerabilities
chemical-mixtures
v2.0.4 · 1 year ago
Utilities for chemical mixtures
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
ichem-molecule
v0.0.3 · 12 years ago
molecule (chemistry)
No known vulnerabilities
rdkit-agent
v0.1.1 · 4 months ago
Agent-first cheminformatics CLI using Node.js + RDKit WASM
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
@emeraldsci/ketcher-react
v2.1.0-0.0.29 · 2 years ago
Web-based molecule sketcher
No known vulnerabilities
@iflow-mcp/augmented-nature-chembl-server
v1.0.0 · 6 months ago
A comprehensive Model Context Protocol server for accessing ChEMBL chemical database with 27 specialized tools for drug discovery, chemical informatics, and bioactivity analysis
No known vulnerabilities
pubchem-cli
v0.1.7 · 4 months ago
PubChem in your terminal.
No known vulnerabilities
@iflow-mcp/surechembl-mcp-server
v1.0.0 · 8 months ago
A comprehensive Model Context Protocol server for accessing SureChEMBL chemical patent database with tools for patent search, chemical discovery, and structure analysis
No known vulnerabilities
@iflow-mcp/chembl-server
v1.0.0 · 9 months ago
A comprehensive Model Context Protocol server for accessing ChEMBL chemical database with 27 specialized tools for drug discovery, chemical informatics, and bioactivity analysis
No known vulnerabilities
@iflow-mcp/pubchem-server
v1.0.0 · 9 months ago
Model Context Protocol server for PubChem chemical database access
No known vulnerabilities
@iflow-mcp/augmented-nature-pubchem-server
v1.0.1 · 5 months ago
Model Context Protocol server for PubChem chemical database access
No known vulnerabilities
@aelgasser/react-molecule-sketcher
v2.0.0-RC10 · 5 years ago
Web-based molecule sketcher
No known vulnerabilities