LICENSE.txt
README.md
pyproject.toml
admet_ai/__init__.py
admet_ai/admet_info.py
admet_ai/admet_model.py
admet_ai/admet_predict.py
admet_ai/constants.py
admet_ai/drugbank.py
admet_ai/physchem.py
admet_ai/plot.py
admet_ai/py.typed
admet_ai/utils.py
admet_ai.egg-info/PKG-INFO
admet_ai.egg-info/SOURCES.txt
admet_ai.egg-info/dependency_links.txt
admet_ai.egg-info/entry_points.txt
admet_ai.egg-info/requires.txt
admet_ai.egg-info/top_level.txt
admet_ai/resources/data/admet.csv
admet_ai/resources/data/drugbank_approved.csv
admet_ai/resources/models/admet_classification/model_0.pt
admet_ai/resources/models/admet_classification/model_1.pt
admet_ai/resources/models/admet_classification/model_2.pt
admet_ai/resources/models/admet_classification/model_3.pt
admet_ai/resources/models/admet_classification/model_4.pt
admet_ai/resources/models/admet_regression/model_0.pt
admet_ai/resources/models/admet_regression/model_1.pt
admet_ai/resources/models/admet_regression/model_2.pt
admet_ai/resources/models/admet_regression/model_3.pt
admet_ai/resources/models/admet_regression/model_4.pt
admet_ai/web/__init__.py
admet_ai/web/run.py
admet_ai/web/wsgi.py
admet_ai/web/app/__init__.py
admet_ai/web/app/config.py
admet_ai/web/app/models.py
admet_ai/web/app/storage.py
admet_ai/web/app/utils.py
admet_ai/web/app/views.py
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admet_ai/web/app/static/images/absorption.jpg
admet_ai/web/app/static/images/distribution.jpg
admet_ai/web/app/static/images/excretion.jpg
admet_ai/web/app/static/images/metabolism.jpg
admet_ai/web/app/static/images/physicochemical.jpg
admet_ai/web/app/static/images/toxicity.jpg
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scripts/filter_valid_molecules.py
scripts/get_drugbank_approved.py
scripts/lookup_in_tdc.py
scripts/merge_tdc_admet_all.py
scripts/merge_tdc_admet_multitask.py
scripts/plot_admet_speed.py
scripts/plot_admet_speed_large_scale.py
scripts/plot_drugbank_approved.py
scripts/plot_drugbank_reference.py
scripts/plot_radial_summaries.py
scripts/plot_tdc_results.py
scripts/prepare_tdc_admet_all.py
scripts/prepare_tdc_admet_group.py
scripts/sample_molecules.py
scripts/tdc_constants.py
scripts/train_tdc_admet_all.py
scripts/train_tdc_admet_group.py
tests/test_admet_ai.py