first add

project_structure.txt

@@ -0,0 +1,31 @@
+.
+./analysis
+./analysis/.gitkeep
+./data
+./.gitattributes
+./.gitignore
+./mactch_test.ipynb
+./notebooks
+./notebooks/demo_single_molecule.ipynb
+./output
+./output/fragments
+./output/.gitkeep
+./project_structure.txt
+./QUICK_START.md
+./README.md
+./ring16
+./ring16/temp.csv
+./ring16/temp.sdf
+./scripts
+./scripts/analyze_fragments.py
+./scripts/batch_process.py
+./scripts/__init__.py
+./src
+./src/fragment_cleaver.py
+./src/fragment_dataclass.py
+./src/__init__.py
+./src/ring_numbering.py
+./src/visualizer.py
+./utils
+./.vscode
+./.vscode/settings.json