/tools/molgraph
molgraph
akensert/molgraph
summary
Molgraph is a Python package that implements graph neural networks using TensorFlow and Keras, aimed at molecular machine learning. It provides tools for building models that can predict molecular properties and analyze molecular graphs.
description
Graph neural networks for molecular machine learning: Implemented and compatible with TensorFlow and Keras.
topics
cheminformaticsgraph-neural-networkskerastensorflowdeep-learningbioinformaticsgraphscomputational-biologycomputational-chemistrymachine-learning
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