├── README.md ├── example_testset.csv ├── example_trainingset.csv ├── pt.txt └── smiles_to_sparkcsv.py /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/pythonpanda/coulomb_matrix/HEAD/README.md -------------------------------------------------------------------------------- /example_testset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/pythonpanda/coulomb_matrix/HEAD/example_testset.csv -------------------------------------------------------------------------------- /example_trainingset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/pythonpanda/coulomb_matrix/HEAD/example_trainingset.csv -------------------------------------------------------------------------------- /pt.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/pythonpanda/coulomb_matrix/HEAD/pt.txt -------------------------------------------------------------------------------- /smiles_to_sparkcsv.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/pythonpanda/coulomb_matrix/HEAD/smiles_to_sparkcsv.py --------------------------------------------------------------------------------