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CITATION.cff
Dockerfile
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MANIFEST.in
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nerdd-requirements.txt
project_setup.md
pyproject.toml
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docs/Makefile
docs/conf.py
docs/index.rst
docs/make.bat
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src/trialblazer/__init__.py
src/trialblazer/__main__.py
src/trialblazer/models.py
src/trialblazer/trialblazer.py
src/trialblazer/trialtrainer.py
src/trialblazer.egg-info/PKG-INFO
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src/trialblazer/Dataset_characterization/physicochem_properties_calculation.py
src/trialblazer/Dataset_preprocess/clinicaltrial_preprocess.py
src/trialblazer/Dataset_preprocess/name_extraction_Smilesmatching.py
src/trialblazer/Dataset_preprocess/Preprocess_compound/Preprocess_FoodDB.py
src/trialblazer/Dataset_preprocess/Preprocess_compound/preprocess_molecules.py
src/trialblazer/Dataset_preprocess/Preprocess_compound/remove_duplicate.py
src/trialblazer/Dataset_preprocess/Preprocess_compound/separate_multicomponents_test.py
src/trialblazer/Dataset_preprocess/Preprocess_compound/split_files.py
src/trialblazer/Descriptor_calculation/process_similarity_results.py
src/trialblazer/Descriptor_calculation/process_target_features.py
src/trialblazer/Descriptor_calculation/similarity_based_target_calculation.py
src/trialblazer/Model/testset_visualization.py
src/trialblazer/Nerdd/__init__.py
src/trialblazer/Nerdd/trialblazer_model.py
src/trialblazer/data/logo.svg
src/trialblazer/data/logo_vienna.gif
src/trialblazer/data/nerdd.yml
tests/__init__.py
tests/test_main.py
tests/data/test_input.csv
tests/data/test_output.csv