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Update notebook.ipynb
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Simplify Colab notebook.
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SGenheden committed Mar 27, 2023
1 parent 4723c23 commit 94ccc05
Showing 1 changed file with 2 additions and 6 deletions.
8 changes: 2 additions & 6 deletions contrib/notebook.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -25,15 +25,12 @@
"source": [
"#@title Installation -- Run this cell to install AiZynthFinder\n",
"\n",
"!pip install --quiet graphviz rdkit-pypi\n",
"!(AIZ_LATEST_TAG=$(git -c 'versionsort.suffix=-' \\\n",
" ls-remote --exit-code --refs --sort='version:refname' --tags https://github.com/MolecularAI/aizynthfinder '*.*.*' \\\n",
" | tail --lines=1 \\\n",
" | cut -f 3 -d /) \\\n",
" && pip install --quiet https://github.com/MolecularAI/aizynthfinder/archive/${AIZ_LATEST_TAG}.tar.gz)\n",
"print(\"Restarting kernel\")\n",
"import os\n",
"os._exit(00)"
"!mkdir --parents data && download_public_data data\n",
]
},
{
Expand All @@ -44,9 +41,8 @@
},
"outputs": [],
"source": [
"#@title Start application. Run this cell after kernel restart {display-mode: \"form\"}\n",
"#@title Start application. {display-mode: \"form\"}\n",
"\n",
"!mkdir --parents data && download_public_data data\n",
"from rdkit.Chem.Draw import IPythonConsole\n",
"from aizynthfinder.interfaces import AiZynthApp\n",
"application = AiZynthApp(\"./data/config.yml\")"
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