13321_2019_381_MOESM8_ESM.gz (3.87 MB)
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
dataset
posted on 2019-09-12, 04:12 authored by Christoph Bauer, Gisbert Schneider, Andreas GรถllerAdditional file 8. Source code for training the HBA and HBD models and two example molecules.
