LICENSE.txt
MANIFEST.in
README.rst
setup.cfg
setup.py
src/olorenchemengine/__init__.py
src/olorenchemengine/__version__.py
src/olorenchemengine/base_class.py
src/olorenchemengine/basics.py
src/olorenchemengine/benchmarks.py
src/olorenchemengine/dataset.py
src/olorenchemengine/ensemble.py
src/olorenchemengine/gnn.py
src/olorenchemengine/hyperparameters.py
src/olorenchemengine/internal.py
src/olorenchemengine/interpret.py
src/olorenchemengine/manager.py
src/olorenchemengine/reduction.py
src/olorenchemengine/representations.py
src/olorenchemengine/splitters.py
src/olorenchemengine/uncertainty.py
src/olorenchemengine.egg-info/PKG-INFO
src/olorenchemengine.egg-info/SOURCES.txt
src/olorenchemengine.egg-info/dependency_links.txt
src/olorenchemengine.egg-info/not-zip-safe
src/olorenchemengine.egg-info/requires.txt
src/olorenchemengine.egg-info/top_level.txt
src/olorenchemengine/beta/__init__.py
src/olorenchemengine/beta/gnn.py
src/olorenchemengine/beta/representations.py
src/olorenchemengine/external/__init__.py
src/olorenchemengine/external/piCalculax.py
src/olorenchemengine/external/stoned.py
src/olorenchemengine/external/ChemProp/__init__.py
src/olorenchemengine/external/ChemProp/main.py
src/olorenchemengine/external/GINNetwork/__init__.py
src/olorenchemengine/external/GINNetwork/main.py
src/olorenchemengine/external/GINNetwork/operations.py
src/olorenchemengine/external/GaussianProcess/__init__.py
src/olorenchemengine/external/GaussianProcess/main.py
src/olorenchemengine/external/HondaSTRep/__init__.py
src/olorenchemengine/external/HondaSTRep/main.py
src/olorenchemengine/external/HondaSTRep/operations.py
src/olorenchemengine/external/MolCLR/__init__.py
src/olorenchemengine/external/MolCLR/main.py
src/olorenchemengine/external/MolCLR/model.py
src/olorenchemengine/external/SPGNN/__init__.py
src/olorenchemengine/external/SPGNN/main.py
src/olorenchemengine/external/SPGNN/model.py
src/olorenchemengine/external/mol2vec/__init__.py
src/olorenchemengine/external/mol2vec/main.py
src/olorenchemengine/external/mol2vec/operations.py
src/olorenchemengine/pyg/gcn.py
src/olorenchemengine/pyg/util.py
src/olorenchemengine/visualizations/__init__.py
src/olorenchemengine/visualizations/attribute_section.py
src/olorenchemengine/visualizations/compounds.py
src/olorenchemengine/visualizations/exploratory_analysis.py
src/olorenchemengine/visualizations/matched_pairs.py
src/olorenchemengine/visualizations/model_comparisons.py
src/olorenchemengine/visualizations/visualization.py
src/olorenchemengine/visualizations/visualize_interpret.py
src/olorenchemengine/visualizations/scripts/BaseErrorWaterfall.js
src/olorenchemengine/visualizations/scripts/BenchmarkDatasets.js
src/olorenchemengine/visualizations/scripts/CompoundScatterPlot.js
src/olorenchemengine/visualizations/scripts/MatchedPairsHeatmap.js
src/olorenchemengine/visualizations/scripts/MatchedPairsTable.js
src/olorenchemengine/visualizations/scripts/ModelManagerBar.js
src/olorenchemengine/visualizations/scripts/ModelPR.js
src/olorenchemengine/visualizations/scripts/ModelROC.js
src/olorenchemengine/visualizations/scripts/ModelROCThreshold.js
src/olorenchemengine/visualizations/scripts/MorganContributions.js
src/olorenchemengine/visualizations/scripts/ScatterPlot.js
src/olorenchemengine/visualizations/scripts/VisualizeCompounds.js
src/olorenchemengine/visualizations/scripts/VisualizeError.js
src/olorenchemengine/visualizations/scripts/VisualizeFeatures.js
src/olorenchemengine/visualizations/scripts/VisualizePredictionSensitivity.js