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cthoyt's repositories
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analysis.ipynb
LICENSE
README.md
Random_Split_r2.png
Random_Split_rmse.png
Scaffold_Split_r2.png
Scaffold_Split_rmse.png
analyze_chemprop.py
compare_lgbm_hgbm.py
compare_methods.py
comparison.csv
cp_comparison.csv
ffnn.py
fixed_comparison.py
run_chemprop.py
tanimoto_gp.py
test_ffnn.py