LICENSE
NOTICE.md
README.md
pyproject.toml
cdxml_toolkit/__init__.py
cdxml_toolkit/cdxml_builder.py
cdxml_toolkit/cdxml_utils.py
cdxml_toolkit/constants.py
cdxml_toolkit/coord_normalizer.py
cdxml_toolkit/doctor.py
cdxml_toolkit/rdkit_utils.py
cdxml_toolkit/text_formatting.py
cdxml_toolkit.egg-info/PKG-INFO
cdxml_toolkit.egg-info/SOURCES.txt
cdxml_toolkit.egg-info/dependency_links.txt
cdxml_toolkit.egg-info/entry_points.txt
cdxml_toolkit.egg-info/requires.txt
cdxml_toolkit.egg-info/top_level.txt
cdxml_toolkit/_jre/__init__.py
cdxml_toolkit/_jre/temurin-21-jre-win-x64.zip
cdxml_toolkit/analysis/__init__.py
cdxml_toolkit/analysis/extract_nmr.py
cdxml_toolkit/analysis/format_procedure_entry.py
cdxml_toolkit/analysis/lcms_analyzer.py
cdxml_toolkit/analysis/parse_analysis_file.py
cdxml_toolkit/analysis/deterministic/__init__.py
cdxml_toolkit/analysis/deterministic/discover_experiment_files.py
cdxml_toolkit/analysis/deterministic/lab_book_formatter.py
cdxml_toolkit/analysis/deterministic/lcms_file_categorizer.py
cdxml_toolkit/analysis/deterministic/lcms_identifier.py
cdxml_toolkit/analysis/deterministic/mass_resolver.py
cdxml_toolkit/analysis/deterministic/multi_lcms_analyzer.py
cdxml_toolkit/analysis/deterministic/procedure_writer.py
cdxml_toolkit/chemdraw/__init__.py
cdxml_toolkit/chemdraw/_chemscript_server.py
cdxml_toolkit/chemdraw/cdx_converter.py
cdxml_toolkit/chemdraw/cdxml_to_image.py
cdxml_toolkit/chemdraw/cdxml_to_image_rdkit.py
cdxml_toolkit/chemdraw/chemscript_bridge.py
cdxml_toolkit/deterministic_pipeline/__init__.py
cdxml_toolkit/deterministic_pipeline/scheme_reader_audit.py
cdxml_toolkit/deterministic_pipeline/scheme_reader_verify.py
cdxml_toolkit/deterministic_pipeline/legacy/__init__.py
cdxml_toolkit/deterministic_pipeline/legacy/eln_cdx_cleanup.py
cdxml_toolkit/deterministic_pipeline/legacy/eln_enrichment.py
cdxml_toolkit/deterministic_pipeline/legacy/scheme_aligner.py
cdxml_toolkit/deterministic_pipeline/legacy/scheme_polisher.py
cdxml_toolkit/deterministic_pipeline/legacy/scheme_polisher_v2.py
cdxml_toolkit/image/__init__.py
cdxml_toolkit/image/reaction_from_image.py
cdxml_toolkit/image/structure_from_image.py
cdxml_toolkit/layout/__init__.py
cdxml_toolkit/layout/alignment.py
cdxml_toolkit/layout/reaction_cleanup.py
cdxml_toolkit/layout/scheme_merger.py
cdxml_toolkit/mcp_server/__init__.py
cdxml_toolkit/mcp_server/__main__.py
cdxml_toolkit/mcp_server/server.py
cdxml_toolkit/naming/__init__.py
cdxml_toolkit/naming/aligned_namer.py
cdxml_toolkit/naming/mol_builder.py
cdxml_toolkit/naming/name_decomposer.py
cdxml_toolkit/naming/reactions_datamol.json
cdxml_toolkit/office/__init__.py
cdxml_toolkit/office/doc_from_template.py
cdxml_toolkit/office/ole_embedder.py
cdxml_toolkit/office/ole_extractor.py
cdxml_toolkit/perception/__init__.py
cdxml_toolkit/perception/compound_search.py
cdxml_toolkit/perception/eln_csv_parser.py
cdxml_toolkit/perception/rdf_parser.py
cdxml_toolkit/perception/reactant_heuristic.py
cdxml_toolkit/perception/reaction_parser.py
cdxml_toolkit/perception/scheme_reader.py
cdxml_toolkit/perception/scheme_refine.py
cdxml_toolkit/perception/scheme_segmenter.py
cdxml_toolkit/perception/spatial_assignment.py
cdxml_toolkit/render/__init__.py
cdxml_toolkit/render/auto_layout.py
cdxml_toolkit/render/compact_parser.py
cdxml_toolkit/render/parser.py
cdxml_toolkit/render/render_scheme.py
cdxml_toolkit/render/renderer.py
cdxml_toolkit/render/schema.py
cdxml_toolkit/render/scheme_maker.py
cdxml_toolkit/render/scheme_yaml_writer.py
cdxml_toolkit/resolve/__init__.py
cdxml_toolkit/resolve/cas_resolver.py
cdxml_toolkit/resolve/chemscanner_abbreviations.json
cdxml_toolkit/resolve/condensed_formula.py
cdxml_toolkit/resolve/jre_manager.py
cdxml_toolkit/resolve/reagent_abbreviations.json
cdxml_toolkit/resolve/reagent_db.py
cdxml_toolkit/resolve/superatom_data.json
cdxml_toolkit/resolve/superatom_table.py
tests/test_builder.py
tests/test_cdxml_utils.py
tests/test_condensed_formula.py
tests/test_constants.py
tests/test_merge_yaml.py
tests/test_mol_builder.py
tests/test_rdkit_utils.py
tests/test_reaction_parser.py
tests/test_reagent_db.py
tests/test_scheme_maker.py
tests/test_scheme_reader.py
tests/test_smoke.py
tests/test_smoke_extended.py
tests/test_spatial_assignment.py
tests/test_superatom_table.py
tests/test_text_formatting.py