.copier-answers.yml
.editorconfig
.gitignore
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CITATION.cff
LICENSE
MANIFEST.in
README.md
project_setup.md
pyproject.toml
.githooks/pre-commit
.github/workflows/build.yml
.github/workflows/documentation.yml
.github/workflows/publish.yml
.github/workflows/test_publish.yml
docs/Makefile
docs/conf.py
docs/index.rst
docs/make.bat
docs/_templates/.gitignore
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
src/trialblazer.egg-info/SOURCES.txt
src/trialblazer.egg-info/dependency_links.txt
src/trialblazer.egg-info/entry_points.txt
src/trialblazer.egg-info/requires.txt
src/trialblazer.egg-info/top_level.txt
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/data/base_model/active_fpe.pkl
src/trialblazer/data/base_model/active_target_preprocessed.csv
src/trialblazer/data/base_model/inactive_fpe.pkl
src/trialblazer/data/base_model/inactive_target_preprocessed.csv
src/trialblazer/data/base_model/training_data_fpe.pkl
src/trialblazer/data/base_model/training_target_features.csv
src/trialblazer/data/base_model/training_target_list.csv
tests/__init__.py
tests/test_main.py
tests/data/test_input.csv
tests/data/test_output.csv