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"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
}
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