MolGraph: a Python package for the implementation of small molecular graphs and graph neural networks with TensorFlow and Keras. - Alexander Kensert; Gert Desmet; Deirdre Cabooter (CoRR, 2022)

MolGraph: a Python package for the implementation of molecular graphs and graph neural networks with TensorFlow and Keras. - Alexander Kensert; Gert Desmet; Deirdre Cabooter (J. Comput. Aided Mol. Des., 2025)