LICENSE
License
MANIFEST.in
README.md
pyproject.toml
setup.py
examples/Acetamide--1,4-Dioxane.xyz
examples/Acetamide--18-Crown-6.xyz
examples/Acetamide--Acetaldehyde.xyz
examples/Acetamide--Acetamide.xyz
examples/Acetamide--Acetic_Acid.xyz
examples/Acetamide--Acetone.xyz
examples/Acetamide--Acetophenone.xyz
examples/Acetamide--Anisole.xyz
examples/Acetamide--Benzaldehyde.xyz
examples/Acetamide--Benzophenone.xyz
examples/Acetamide--Butan-2-one_(MEK).xyz
examples/Acetamide--Carbon_Dioxide.xyz
examples/Acetamide--Cyclohexanone.xyz
examples/Acetamide--Diethyl_Carbonate.xyz
examples/Acetamide--Diethyl_Ether.xyz
examples/Acetamide--Dimethyl_Ether.xyz
examples/Acetamide--Dimethyl_Sulfoxide_(DMSO).xyz
examples/Acetamide--Ethanol.xyz
examples/Acetamide--Ethyl_Acetate.xyz
examples/Acetamide--Ethylene_Carbonate.xyz
examples/Acetamide--Formaldehyde.xyz
examples/Acetamide--Gamma-Butyrolactone_(GBL).xyz
examples/test.csv
knf_predictor/__init__.py
knf_predictor/cli.py
knf_predictor/graph_builder.py
knf_predictor/models.py
knf_predictor/predictor.py
knf_predictor.egg-info/PKG-INFO
knf_predictor.egg-info/SOURCES.txt
knf_predictor.egg-info/dependency_links.txt
knf_predictor.egg-info/entry_points.txt
knf_predictor.egg-info/requires.txt
knf_predictor.egg-info/top_level.txt
knf_predictor/data/KNF_Ensemble_v1.0.pth