LICENSE
README.md
pyproject.toml
setup.py
src/linchemin/__init__.py
src/linchemin/utilities.py
src/linchemin.egg-info/PKG-INFO
src/linchemin.egg-info/SOURCES.txt
src/linchemin.egg-info/dependency_links.txt
src/linchemin.egg-info/entry_points.txt
src/linchemin.egg-info/requires.txt
src/linchemin.egg-info/top_level.txt
src/linchemin/IO/__init__.py
src/linchemin/IO/io.py
src/linchemin/cgu/__init__.py
src/linchemin/cgu/convert.py
src/linchemin/cgu/discgraph.py
src/linchemin/cgu/iron.py
src/linchemin/cgu/route_enumeration.py
src/linchemin/cgu/route_mining.py
src/linchemin/cgu/route_sanity_check.py
src/linchemin/cgu/syngraph.py
src/linchemin/cgu/syngraph_operations.py
src/linchemin/cgu/translate.py
src/linchemin/cgu/graph_transformations/__init__.py
src/linchemin/cgu/graph_transformations/data_model_converters.py
src/linchemin/cgu/graph_transformations/exceptions.py
src/linchemin/cgu/graph_transformations/format_translators.py
src/linchemin/cgu/graph_transformations/supporting_functions.py
src/linchemin/cheminfo/__init__.py
src/linchemin/cheminfo/atom_mapping.py
src/linchemin/cheminfo/chemical_hashes.py
src/linchemin/cheminfo/chemical_similarity.py
src/linchemin/cheminfo/constructors.py
src/linchemin/cheminfo/depiction.py
src/linchemin/cheminfo/functions.py
src/linchemin/cheminfo/models.py
src/linchemin/cheminfo/model_constructors/__init__.py
src/linchemin/cheminfo/model_constructors/disconnection_constructor.py
src/linchemin/cheminfo/model_constructors/legacy_constructors.py
src/linchemin/cheminfo/model_constructors/ratam_constructor.py
src/linchemin/configuration/__init__.py
src/linchemin/configuration/config.py
src/linchemin/configuration/defaults.py
src/linchemin/interfaces/__init__.py
src/linchemin/interfaces/cli.py
src/linchemin/interfaces/facade.py
src/linchemin/interfaces/utils_interfaces.py
src/linchemin/interfaces/workflows.py
src/linchemin/interfaces/writers.py
src/linchemin/rem/__init__.py
src/linchemin/rem/clustering.py
src/linchemin/rem/graph_distance.py
src/linchemin/rem/node_descriptors.py
src/linchemin/rem/route_descriptors.py
src/linchemin/rem/route_metrics.py
src/linchemin/rem/route_scoring.py
src/linchemin/rem/step_descriptors.py
src/linchemin/rem/rem_utils/__init__.py
src/linchemin/rem/rem_utils/classification_schema.py
src/linchemin/rem/rem_utils/distance_strategy.py
src/linchemin/services/callbacks.py
src/linchemin/services/decorators.py
src/linchemin/services/general.py
src/linchemin/services/response_handler.py
src/linchemin/services/namerxn/schemas.py
src/linchemin/services/namerxn/service.py
src/linchemin/services/rxnmapper/schemas.py
src/linchemin/services/rxnmapper/service.py
tests/test_general.py