LICENSE
README.md
setup.py
msfiddle/__init__.py
msfiddle/api.py
msfiddle/dataset.py
msfiddle/download.py
msfiddle/main.py
msfiddle/model_tcn.py
msfiddle.egg-info/PKG-INFO
msfiddle.egg-info/SOURCES.txt
msfiddle.egg-info/dependency_links.txt
msfiddle.egg-info/entry_points.txt
msfiddle.egg-info/requires.txt
msfiddle.egg-info/top_level.txt
msfiddle/config/fiddle_tcn_casmi.yml
msfiddle/config/fiddle_tcn_demo.yml
msfiddle/config/fiddle_tcn_demo_wo_da.yml
msfiddle/config/fiddle_tcn_embl.yml
msfiddle/config/fiddle_tcn_orbitrap.yml
msfiddle/config/fiddle_tcn_qtof.yml
msfiddle/demo/input_msms.mgf
msfiddle/demo/output_buddy.csv
msfiddle/demo/output_fiddle.csv
msfiddle/demo/output_fiddle_all.csv
msfiddle/demo/output_sirius.csv
msfiddle/utils/__init__.py
msfiddle/utils/mol_utils.py
msfiddle/utils/msms_utils.py
msfiddle/utils/pkl_utils.py
msfiddle/utils/refine_utils.py
tests/test_api.py
tests/test_download.py
tests/test_main.py
tests/test_mol_utils.py
tests/test_msms_utils.py
tests/test_refine_utils.py