aizynthfinder:逆向综合计划的工具
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2021-05-14
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aizynthfinder:逆向综合计划的工具 （129个子文件） 
CITATION.cff 2KB dummy_sani_raw_template_library.csv 4KB dummy_raw_template_library.csv 3KB dummy_noclass_raw_template_library.csv 3KB make_false_template_library.csv 2KB smiles_csv.csv 75B stock1.csv 65B reaction_tree.dot 752B .gitignore 2KB
full_search_tree.json.gz 80KB stock1.h5 1.01MB stock2.h5 1.01MB templates.hdf5 1.01MB notebook.ipynb 2KB tree_with_branching.json 24KB branched_route.json 22KB sample_reaction_with_hidden.json 12KB tree_with_3_repetitions.json 8KB routes_for_clustering.json 6KB tree_without_repetition_longer.json 5KB tree_with_repetition.json 5KB tree_for_clustering.json 4KB combined_example_tree.json 4KB finder_output.json 2KB sample_reaction.json 2KB tree_without_repetition.json 1KB LICENSE 1KB poetry.lock 190KB README.md 6KB CHANGELOG.md 3KB
gui_clustering.png 95KB gui_results.png 92KB gui_input.png 72KB treesearch-seq.png 67KB analysis-seq.png 43KB treesearch-rel.png 37KB analysis-rel.png 31KB line-desc.png 4KB analysis.py 24KB test_tree_search.py 23KB chem.py 20KB test_analysis.py 17KB stock.py 15KB aizynthapp.py 14KB node.py 14KB scoring.py 14KB test_cli.py 13KB distances.py 12KB test_training.py 12KB analysis_helpers.py 11KB test_score.py 10KB test_stock.py 10KB conftest.py 9KB aizynthfinder.py 9KB policy.py 9KB models.py 9KB test_route_distances.py 9KB test_serialization.py 8KB image.py 8KB make_false_products.py 8KB keras_models.py 8KB utils.py 8KB aizynthcli.py 7KB test_mcts_config.py 6KB state.py 6KB test_chem.py 5KB mcts.py 5KB test_node.py 5KB config.py 5KB make_stock.py 5KB collection.py 4KB test_integration.py 4KB test_collection.py 4KB clustering.py 4KB clustering.py 4KB preprocess_expansion.py 4KB test_image.py 4KB test_external_tf_models.py 4KB test_policy.py 3KB files.py 3KB serialization.py 3KB test_file_utils.py 2KB download_public_data.py 2KB preprocess_filter.py 2KB preprocess_recommender.py 2KB logging.py 2KB mongo.py 1KB test_clustering.py 1KB test_tree.py 1KB training.py 989B conf.py 732B cat_output.py 688B tasks.py 547B type_utils.py 546B paths.py 355B custom_loader.py 219B __init__.py 113B __init__.py 113B custom_loader2.py 78B dummy.py 57B共 129 条
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