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Update Dissimilarity_plots.ipynb
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raimon-fa authored May 14, 2021
1 parent de66111 commit f0bb0c8
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion Dissimilarity_plots.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -204,7 +204,7 @@
" 'data_react_xyz/' + data.mol.values[i] + data.enan.values[i] + '.xyz') for i in range(len(data))]\n",
"\n",
"data['ase_products'] = [aio.read(\n",
" 'data_react_xyz/' + data.mol.values[i] + data.enan.values[i] + '.xyz') for i in range(len(data))]\n",
" 'data_prod_xyz/' + data.mol.values[i] + data.enan.values[i] + '.xyz') for i in range(len(data))]\n",
"\n",
"mbtypes = np.load('./mbtypes.npy', allow_pickle=True)\n",
"\n",
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