{ "cells": [ { "cell_type": "code", "execution_count": 1, "id": "facb53c7", "metadata": {}, "outputs": [ { "data": { "text/plain": [ "'\\n# RDKit in marimo + Molab\\n\\nSMILES: `CCO`\\n\\nMolecular weight: `46.07`\\n'" ] }, "execution_count": 1, "metadata": {}, "output_type": "execute_result" } ], "source": [ "import marimo as mo\n", "from rdkit import Chem\n", "from rdkit.Chem import Descriptors\n", "\n", "mol = Chem.MolFromSmiles(\"CCO\")\n", "f\"\"\"\n", "# RDKit in marimo + Molab\n", "\n", "SMILES: `CCO`\n", "\n", "Molecular weight: `{Descriptors.MolWt(mol):.2f}`\n", "\"\"\"" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.14.5" } }, "nbformat": 4, "nbformat_minor": 5 }