"MolGraph: a Python package for the implementation of molecular graphs and ..."

Alexander Kensert, Gert Desmet, Deirdre Cabooter (2025)

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DOI: 10.1007/S10822-024-00578-W

access: closed

type: Journal Article

metadata version: 2025-01-01

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Alexander Kensert, Gert Desmet, Deirdre Cabooter:
MolGraph: a Python package for the implementation of molecular graphs and graph neural networks with TensorFlow and Keras. J. Comput. Aided Mol. Des. 39(1): 3 (2025)

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