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andrewtarzia committed Jun 15, 2020
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4 changes: 2 additions & 2 deletions examples/calculate_molecular_size.ipynb
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"metadata": {},
"outputs": [],
"source": [
"# Produce 200 conformers using a random seed of 1000.\n",
"# Produce 100 conformers using a random seed of 1000.\n",
"# A consistent random seed will produce consistent conformers.\n",
"cids = rdkit.EmbedMultipleConfs(\n",
" mol=mol,\n",
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"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.2"
"version": "3.6.9"
}
},
"nbformat": 4,
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