.DS_Store
__pycache__
extra/
pyproject.toml
files/bond_stats
files/logs
files/models
files/MLHypertune_pars/npzfiles
files/df_bond_stats.csv
files/df_combined.csv
files/df_datasplit.csv
files/df_fractions.csv
files/df.csv
files/npz_datasplits.npz
files/pdp_results_average.npz
files/pdp_results_average.pkl
files/structures_dict.json
test/score_cvauc.py
thermo_stability/creds.py
thermo_stability/__pycache__
thermo_stability/Untitled-1.ipynb
