LICENSE
README.md
pyproject.toml
src/ChemEmbed.egg-info/PKG-INFO
src/ChemEmbed.egg-info/SOURCES.txt
src/ChemEmbed.egg-info/dependency_links.txt
src/ChemEmbed.egg-info/entry_points.txt
src/ChemEmbed.egg-info/requires.txt
src/ChemEmbed.egg-info/top_level.txt
src/chemembed/__init__.py
src/chemembed/chemembed_by_file.py
src/chemembed/chemembed_single_file.py
src/chemembed/cli.py
src/chemembed/data_processing.py
src/chemembed/model_utils.py
src/chemembed/reference_utils.py
src/chemembed/chembert_eval/__init__.py
src/chemembed/chembert_eval/data_preprocessing.py
src/chemembed/chembert_eval/chembert_cnn/__init__.py
src/chemembed/chembert_eval/chembert_cnn/dataset.py
src/chemembed/chembert_eval/chembert_cnn/main.py
src/chemembed/chembert_eval/chembert_cnn/model_cnn.py
src/chemembed/chembert_eval/chembert_dnn/__init__.py
src/chemembed/chembert_eval/chembert_dnn/dataset.py
src/chemembed/chembert_eval/chembert_dnn/main.py
src/chemembed/chembert_eval/chembert_dnn/model_dnn.py
src/chemembed/chembert_eval/mol2vec_with_dnn/__init__.py
src/chemembed/chembert_eval/mol2vec_with_dnn/dataset.py
src/chemembed/chembert_eval/mol2vec_with_dnn/main.py
src/chemembed/chembert_eval/mol2vec_with_dnn/model_dnn.py
src/chemembed/cnn_train/__init__.py
src/chemembed/cnn_train/up_cnn_model.py
src/chemembed/data_loaders/__init__.py
src/chemembed/data_loaders/inference_dataset_loader.py
src/chemembed/data_loaders/spectra_inference_dataset_loader.py
tests/test_precursor_matching.py
tests/test_smoke.py