LICENSE
README.md
pyproject.toml
config/__init__.py
config/location_model.yaml
config/thermo_model.yaml
config/data/case_study.yaml
config/data/protein_examples.yaml
config/data/protein_examples2.yaml
config/data/watsite.yaml
config/data/xray_water.yaml
hs_prediction/__init__.py
hs_prediction/cli.py
hydration_site_prediction.egg-info/PKG-INFO
hydration_site_prediction.egg-info/SOURCES.txt
hydration_site_prediction.egg-info/dependency_links.txt
hydration_site_prediction.egg-info/entry_points.txt
hydration_site_prediction.egg-info/requires.txt
hydration_site_prediction.egg-info/top_level.txt
inference/__init__.py
pretrained_model/__init__.py
training/__init__.py
training/train.py