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finished notebook execution
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JochenSiegWork committed Feb 10, 2025
1 parent b0df02a commit 21f37e6
Showing 1 changed file with 22 additions and 3 deletions.
25 changes: 22 additions & 3 deletions notebooks/advanced_04_dataset_similarity.ipynb
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},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 17,
"id": "797df24b-d431-47d5-860c-7eb7bd933564",
"metadata": {},
"outputs": [],
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"CPU times: user 1min 9s, sys: 245 ms, total: 1min 10s\n",
"Wall time: 1min 10s\n"
]
},
{
"data": {
"text/plain": [
"(19999, 19999)"
]
},
"execution_count": 17,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"%%time\n",
"sim_mat_rdkit = np.full((len(fp_matrix_explicit), len(fp_matrix_explicit)), np.nan)\n",
Expand All @@ -709,7 +728,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 18,
"id": "92b5b3fa-7365-439a-a490-877156f039a8",
"metadata": {},
"outputs": [],
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