Using RDKit.js with Node.js

RDKit + Node.js >= 18. It is straight forward.

npm init -y
npm install @rdkit/rdkit

Use ESM ("type": "module"):

// package.json
{
  "name": "rdkit-node-example",
  "type": "module",
  "scripts": { "start": "node index.js" },
}

// index.js
import initRDKit from "@rdkit/rdkit";

const RDKit = await initRDKit();
console.log("RDKit version:", RDKit.version());

const mol = RDKit.get_mol("CCO");
if (!mol) {
  console.error("Failed to parse SMILES");
  process.exit(1);
}

console.log("SMILES:", mol.get_smiles());
console.log("Atoms:", mol.get_num_atoms());
console.log("MW:", JSON.parse(mol.get_descriptors()).amw);

mol.delete();