ideal_mols_2
This is the csv file for the ideal_mols_2 dataset outputted by the brute force algorithm. It contains around 8.4 million molecules, with their 1st and 2nd transition energies and oscillator strengths and SA score predictions.
This is the csv file for the ideal_mols_2 dataset outputted by the brute force algorithm. It contains around 8.4 million molecules, with their 1st and 2nd transition energies and oscillator strengths and SA score predictions.