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udlbook
2024-05-01 16:43:15 -04:00
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Notebooks/Chap13/13_2_Graph_Classification.ipynb
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@@ -4,7 +4,6 @@
"metadata": {
"colab": {
"provenance": [],
"authorship_tag": "ABX9TyOMSGUFWT+YN0fwYHpMmHJM",
"include_colab_link": true
},
"kernelspec": {
@@ -99,7 +98,7 @@
"\n",
"# TODO -- Define node matrix\n",
"# There will be 9 nodes and 118 possible chemical elements\n",
"# so we'll define a 9x118 matrix. Each column represents one\n",
"# so we'll define a 118x9 matrix. Each column represents one\n",
"# node and is a one-hot vector (i.e. all zeros, except a single one at the\n",
"# chemical number of the element).\n",
"# Chemical numbers: Hydrogen-->1, Carbon-->6, Oxygen-->8\n",