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Debug general_config path in main.py and diffusion.py
Sep 18, 2023
61adca1 · Sep 18, 2023

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CCSD_Example.ipynb
CCSD_Example.ipynb
Sep 18, 2023
README.txt
README.txt
Sep 3, 2023
create_tanimoto_smiles.py
create_tanimoto_smiles.py
Sep 10, 2023
demonstration.sh
demonstration.sh
Sep 18, 2023
run_calculate_D.py
run_calculate_D.py
Sep 3, 2023
run_calculate_model_parameters.py
run_calculate_model_parameters.py
Sep 3, 2023
run_frobenius_complexity.py
run_frobenius_complexity.py
Sep 10, 2023
run_plot_original_datasets.py
run_plot_original_datasets.py
Sep 7, 2023
run_tanimoto.py
run_tanimoto.py
Sep 10, 2023
run_tanimoto_benchmark.py
run_tanimoto_benchmark.py
Sep 10, 2023

README.txt

This folder contains additional scripts that have been used to calculate
metrics, values, or display plots that have been incorporated into the
final manuscript.