├── .editorconfig ├── .github └── workflows │ ├── CI_build.yml │ ├── cffconvert.yml │ └── pypi_publish.yml ├── .gitignore ├── .prospector.yml ├── .readthedocs.yml ├── .zenodo.json ├── CHANGELOG.md ├── CITATION.cff ├── CODE_OF_CONDUCT.rst ├── CONTRIBUTING.md ├── LICENSE ├── MANIFEST.in ├── README.rst ├── conda ├── README.md ├── environment-build.yml ├── environment-dev.yml └── meta.yaml ├── integration-tests ├── test_user_workflow_spec2vec.model └── test_user_workflow_spec2vec.py ├── pyproject.toml ├── readthedocs ├── Makefile ├── conf.py ├── index.rst └── make.bat ├── sonar-project.properties ├── spec2vec ├── Document.py ├── Spec2Vec.py ├── SpectrumDocument.py ├── SpectrumDocumentWithLosses.py ├── __init__.py ├── __version__.py ├── logging_functions.py ├── model_building.py ├── serialization │ ├── __init__.py │ ├── model_exporting.py │ └── model_importing.py ├── utils.py └── vector_operations.py └── tests ├── __init__.py ├── conftest.py ├── data ├── model.json ├── pesticides.mgf └── 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