Bauer, Christoph Schneider, Gisbert Gรถller, Andreas MOESM8 of Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies Additional file 8. Source code for training the HBA and HBD models and two example molecules. Computational chemistry;Density functional theory;Hydrogen bond strength;Free energy prediction;Cheminformatics 2019-09-12
    https://springernature.figshare.com/articles/dataset/MOESM8_of_Machine_learning_models_for_hydrogen_bond_donor_and_acceptor_strengths_using_large_and_diverse_training_data_generated_by_first-principles_interaction_free_energies/9809729
10.6084/m9.figshare.9809729.v1