AIMSim-GUI.png
LICENSE
MANIFEST.in
README.md
config.yaml
implemented_metrics.md
requirements.txt
setup.py
temp_mol_file.csv
AIMSim/__init__.py
AIMSim/__main__.py
AIMSim/exceptions.py
AIMSim.egg-info/PKG-INFO
AIMSim.egg-info/SOURCES.txt
AIMSim.egg-info/dependency_links.txt
AIMSim.egg-info/entry_points.txt
AIMSim.egg-info/requires.txt
AIMSim.egg-info/top_level.txt
AIMSim/chemical_datastructures/__init__.py
AIMSim/chemical_datastructures/molecule.py
AIMSim/chemical_datastructures/molecule_set.py
AIMSim/ops/__init__.py
AIMSim/ops/clustering.py
AIMSim/ops/descriptor.py
AIMSim/ops/similarity_measures.py
AIMSim/tasks/__init__.py
AIMSim/tasks/cluster_data.py
AIMSim/tasks/compare_target_molecule.py
AIMSim/tasks/identify_outliers.py
AIMSim/tasks/measure_search.py
AIMSim/tasks/see_property_variation_with_similarity.py
AIMSim/tasks/task.py
AIMSim/tasks/task_manager.py
AIMSim/tasks/visualize_dataset.py
AIMSim/utils/__init__.py
AIMSim/utils/ccbmlib_fingerprints.py
AIMSim/utils/plotting_scripts.py
docs/_build/html/_images/AIMSim-logo.png
docs/_build/html/_images/sulfonamide-substrate-scope.png
docs/_build/html/_static/file.png
docs/_build/html/_static/minus.png
docs/_build/html/_static/plus.png
docs/_images/AIMSim-logo.png
docs/_images/sulfonamide-substrate-scope.png
docs/_static/file.png
docs/_static/minus.png
docs/_static/plus.png
docs/interfaces/UI/AIMSim-logo.png
docs/tests/sulfonamide-substrate-scope.png
htmlcov/favicon_32.png
htmlcov/keybd_closed.png
htmlcov/keybd_open.png
interfaces/__init__.py
interfaces/config_reader.py
interfaces/UI/AIMSim-logo.png
interfaces/UI/AIMSim_ui_main.py
interfaces/UI/__init__.py
tests/__init__.py
tests/sulfonamide-substrate-scope-PDF.png
tests/sulfonamide-substrate-scope.png
tests/test_CompareTargetMolecule.py
tests/test_Descriptor.py
tests/test_LoadingErrorException.py
tests/test_MeasureSearch.py
tests/test_Molecule.py
tests/test_MoleculeSet.py
tests/test_SimilarityMeasure.py
tests/test_SimilarityMeasureValueErrors.py
tests/test_TaskManager.py
tests/test_multithreading.py
tests/data/README.md