├── .coveragerc ├── .flake8 ├── .github ├── ISSUE_TEMPLATE │ ├── bug_report.yaml │ ├── config.yml │ └── feature_request.yaml └── workflows │ ├── black-mypy-flake.yml │ ├── python-publish.yml │ └── tests.yml ├── .gitignore ├── .pre-commit-config.yaml ├── .readthedocs.yaml ├── CONTRIBUTING.md ├── LICENSE ├── README.md ├── benchmarks ├── dgl_benchmark.py ├── helpers.py ├── pyg_benchmark.py ├── pyneuralogic_benchmark.py ├── run.py ├── spektral_benchmark.py └── visualize.py ├── docs ├── Makefile ├── _static │ ├── atom.svg │ ├── benchmark.svg │ ├── benchmarks │ │ ├── BZR.svg │ │ ├── COX2.svg │ │ ├── DHFR.svg │ │ ├── KKI.svg │ │ ├── MUTAG.svg │ │ ├── NCI1.svg │ │ ├── PROTEINS.svg │ │ └── Peking_1.svg │ ├── custom.css │ ├── hetero_graph.svg │ ├── hyper_graph.svg │ ├── k_regular_graph.png │ ├── logo.svg │ ├── london.svg │ ├── mutagenesis_table_mapping.svg │ ├── mutagenesis_tables.svg │ ├── non_regular_graphs.png │ ├── non_regular_molecules.png │ ├── readme_logo.svg │ ├── recursive_template.png │ ├── recursive_xor2.png │ ├── recursive_xor3.png │ ├── recursive_xor4.png │ ├── rulecomputationgraph.svg │ ├── rulecomputationgraph_features.svg │ ├── rulecomputationgraph_readout.svg │ ├── rulecomputationgraph_tworules.svg │ ├── ruleexample.svg │ ├── sample_render.png │ ├── simple_graph.svg │ ├── sql_banner.svg │ ├── sql_layer_query_result.svg │ ├── sql_query_result.svg │ ├── sql_query_results.svg │ ├── template_render.png │ └── weighted_london.svg ├── advanced.rst ├── advanced │ ├── database_deep_learning.rst │ ├── eval_inference_engine.rst │ ├── heterogeneous.rst │ ├── inference_engine.rst │ ├── java_settings_and_debugging.rst │ ├── modifiers.rst │ ├── pytorch_integration.rst │ ├── recursive_xor.rst │ └── visualization.rst ├── benchmarks.rst ├── beyond │ ├── heterophily.rst │ └── hypergraphs.rst ├── conf.py ├── custom_model.rst ├── evaluation.rst ├── examples.rst ├── index.rst ├── installation.rst ├── language.rst ├── package │ ├── core │ │ ├── neuralogic.core.builder.rst │ │ ├── neuralogic.core.constructs.rst │ │ ├── neuralogic.core.rst │ │ └── neuralogic.core.settings.rst │ ├── neuralogic.dataset.rst │ ├── neuralogic.db.rst │ ├── neuralogic.inference.rst │ ├── neuralogic.logging.rst │ ├── neuralogic.rst │ ├── nn │ │ ├── neuralogic.nn.base.rst │ │ ├── neuralogic.nn.evaluator.rst │ │ ├── neuralogic.nn.functional.rst │ │ ├── neuralogic.nn.init.rst │ │ ├── neuralogic.nn.java.rst │ │ ├── neuralogic.nn.loss.rst │ │ ├── neuralogic.nn.rst │ │ └── neuralogic.nn.torch_function.rst │ ├── optim │ │ ├── neuralogic.optim.lr_scheduler.rst │ │ └── neuralogic.optim.rst │ └── utils │ │ ├── neuralogic.utils.data.rst │ │ ├── neuralogic.utils.rst │ │ └── neuralogic.utils.visualize.rst ├── quick_start.rst ├── rules_mapping.rst └── zoo.rst ├── examples ├── DatabaseTrains.ipynb ├── DatasetUsage.ipynb ├── DistinguishingKRegularGraphs.ipynb ├── DistinguishingNonRegularGraphs.ipynb ├── MolecularGNN.ipynb ├── PatternMatching.ipynb ├── RecursiveXORGeneralization.ipynb ├── SimpleXOR.ipynb ├── TimeSeriesLSTM.ipynb ├── Visualization.ipynb ├── datasets │ ├── data │ │ └── train_example_data.py │ ├── horses.py │ ├── multiple_examples_no_order_trains.py │ ├── multiple_examples_trains.py │ ├── naive_trains.py │ ├── naive_xor.py │ └── vectorized_xor.py ├── java_evaluator.py ├── outdated │ ├── HooksJavaDynet.ipynb │ ├── KarateClub.ipynb │ ├── PredicateHooks.ipynb │ ├── Visual_Test.ipynb │ ├── Writing_Custom_Java_Loop.ipynb │ └── pyg_example.py └── zebra_puzzle.py ├── neuralogic ├── __init__.py ├── __version__.py ├── core │ ├── __init__.py │ ├── builder │ │ ├── __init__.py │ │ ├── builder.py │ │ ├── components.py │ │ └── dataset_builder.py │ ├── constructs │ │ ├── __init__.py │ │ ├── factories.py │ │ ├── function │ │ │ ├── __init__.py │ │ │ ├── concat.py │ │ │ ├── enum.py │ │ │ ├── function.py │ │ │ ├── function_container.py │ │ │ ├── function_graph.py │ │ │ ├── reshape.py │ │ │ ├── slice.py │ │ │ └── softmax.py │ │ ├── java_objects.py │ │ ├── metadata.py │ │ ├── predicate.py │ │ ├── relation.py │ │ ├── rule.py │ │ └── term.py │ ├── enums.py │ ├── settings │ │ ├── __init__.py │ │ └── settings_proxy.py │ ├── sources.py │ └── template.py ├── dataset │ ├── __init__.py │ ├── base.py │ ├── csv.py │ ├── db.py │ ├── file.py │ ├── logic.py │ └── tensor.py ├── db │ ├── __init__.py │ ├── converter.py │ └── pg │ │ ├── __init__.py │ │ └── helpers.py ├── inference │ ├── __init__.py │ ├── evaluation_inference_engine.py │ └── inference_engine.py ├── jar │ ├── NeuraLogic.jar │ └── __init__.py ├── logging │ └── __init__.py ├── nn │ ├── __init__.py │ ├── base.py │ ├── evaluator │ │ ├── __init__.py │ │ └── java.py │ ├── init.py │ ├── java.py │ ├── loss.py │ ├── module │ │ ├── __init__.py │ │ ├── general │ │ │ ├── __init__.py │ │ │ ├── attention.py │ │ │ ├── gru.py │ │ │ ├── linear.py │ │ │ ├── lstm.py │ │ │ ├── mlp.py │ │ │ ├── pooling.py │ │ │ ├── positional_encoding.py │ │ │ ├── rnn.py │ │ │ ├── rvnn.py │ │ │ └── transformer.py │ │ ├── gnn │ │ │ ├── __init__.py │ │ │ ├── appnp.py │ │ │ ├── gatv2.py │ │ │ ├── gcn.py │ │ │ ├── gen.py │ │ │ ├── gin.py │ │ │ ├── gine.py │ │ │ ├── gsage.py │ │ │ ├── res_gated.py │ │ │ ├── rgcn.py │ │ │ ├── sg.py │ │ │ └── tag.py │ │ ├── meta │ │ │ ├── __init__.py │ │ │ ├── magnn.py │ │ │ └── meta.py │ │ └── module.py │ └── torch_function.py ├── optim │ ├── __init__.py │ ├── adam.py │ ├── lr_scheduler │ │ ├── __init__.py │ │ ├── arithmetic.py │ │ ├── geometric.py │ │ └── lr_decay.py │ ├── optimizer.py │ └── sgd.py └── utils │ ├── __init__.py │ ├── data │ ├── __init__.py │ └── datasets │ │ ├── molecules │ │ ├── atomEmbeddings3.txt │ │ ├── bondEmbeddings3.txt │ │ └── mutagenesis │ │ │ ├── examples.txt │ │ │ ├── queries.txt │ │ │ └── templates │ │ │ ├── embeddings.txt │ │ │ ├── template.txt │ │ │ ├── template_crosssum.txt │ │ │ ├── template_elementProduct.txt │ │ │ ├── template_gnn.txt │ │ │ ├── template_graphlets.txt │ │ │ ├── template_partial.txt │ │ │ └── template_product.txt │ │ ├── nations │ │ ├── embeddings.txt │ │ ├── examples.txt │ │ ├── queries.txt │ │ └── template.txt │ │ └── simple │ │ ├── family │ │ ├── examples.txt │ │ ├── queries.txt │ │ └── template.txt │ │ ├── trains │ │ ├── examples.txt │ │ ├── queries.txt │ │ └── template.txt │ │ └── xor │ │ ├── generalized │ │ ├── examples.txt │ │ ├── template.txt │ │ ├── texamples.txt │ │ └── ztexamples.txt │ │ ├── naive │ │ ├── template.txt │ │ └── trainExamples.txt │ │ ├── solution │ │ ├── template.txt │ │ └── testExamples.txt │ │ └── vectorized │ │ ├── template.txt │ │ └── trainExamples.txt │ └── visualize │ └── __init__.py ├── pyproject.toml ├── requirements.txt ├── setup.py └── tests ├── __init__.py ├── test_constructs.py ├── test_csv_datasets.py ├── test_datasets.py ├── test_drawing.py ├── test_evaluation_inference_engine.py ├── test_function.py ├── test_general_modules.py ├── test_gnn_modules.py ├── test_inference_engine.py ├── test_java_evaluator.py ├── test_lr_decay.py ├── test_modules.py ├── test_quick_start.py ├── test_recurrent_modules.py 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