.gitignore
.gitmodules
Containerfile
LICENSE
Makefile
README.md
VERSION
pyproject.toml
setup.cfg
setup.py
.github/workflows/publish.yaml
.github/workflows/run_test.yaml
data/LipidLibrarianLogo.png
data/adducts.csv
data/alex123/alex123.schema.html
data/linex/linex_data.pbz2
data/lipidlynxx/pyproject.toml
data/lipidlynxx/setup.cfg
external/.gitkeep
notebooks/example_query.ipynb
notebooks/goslin_test.ipynb
notebooks/obonet_test.ipynb
notebooks/rdkit_test.ipynb
notebooks/sql_alex123.ipynb
scripts/database_convert_lion.ipynb
scripts/database_convert_lipidmaps.ipynb
scripts/database_convert_swisslipids.ipynb
scripts/database_inspect_lipidmaps.ipynb
scripts/database_inspect_swisslipids.ipynb
scripts/generate_linex_data.ipynb
scripts/lipidlynxx_setuptools.sh
src/lipidlibrarian/LipidQuery.py
src/lipidlibrarian/__init__.py
src/lipidlibrarian/cli.py
src/lipidlibrarian/sync_alex123_sql_database.py
src/lipidlibrarian.egg-info/PKG-INFO
src/lipidlibrarian.egg-info/SOURCES.txt
src/lipidlibrarian.egg-info/dependency_links.txt
src/lipidlibrarian.egg-info/entry_points.txt
src/lipidlibrarian.egg-info/requires.txt
src/lipidlibrarian.egg-info/top_level.txt
src/lipidlibrarian/api/Alex123API.py
src/lipidlibrarian/api/LinexAPI.py
src/lipidlibrarian/api/LionAPI.py
src/lipidlibrarian/api/LipidAPI.py
src/lipidlibrarian/api/LipidLibrarianAPI.py
src/lipidlibrarian/api/LipidMapsAPI.py
src/lipidlibrarian/api/SwissLipidsAPI.py
src/lipidlibrarian/api/__init__.py
src/lipidlibrarian/data/adducts.csv
src/lipidlibrarian/data/alex123/alex123_db.h5
src/lipidlibrarian/data/linex/linex_data.pbz2
src/lipidlibrarian/data/lion/lion_association_table.tsv
src/lipidlibrarian/data/lion/lion_ontology_graph.obo
src/lipidlibrarian/data/lipidmaps/goslin_converted_names.tsv
src/lipidlibrarian/data/swisslipids/goslin_converted_names.tsv
src/lipidlibrarian/lipid/Adduct.py
src/lipidlibrarian/lipid/DatabaseIdentifier.py
src/lipidlibrarian/lipid/Fragment.py
src/lipidlibrarian/lipid/Level.py
src/lipidlibrarian/lipid/Lipid.py
src/lipidlibrarian/lipid/Mass.py
src/lipidlibrarian/lipid/Nomenclature.py
src/lipidlibrarian/lipid/Ontology.py
src/lipidlibrarian/lipid/Reaction.py
src/lipidlibrarian/lipid/Source.py
src/lipidlibrarian/lipid/StructureIdentifier.py
src/lipidlibrarian/lipid/Synonym.py
src/lipidlibrarian/lipid/__init__.py
test/conftest.py
test/mock_http_helper.py
test/test_lipid_query.py
test/api/lipid_name_test_matrix.py
test/api/test_api_alex123.py
test/api/test_api_lipidmaps.py
test/api/test_api_swisslipids.py