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akensert / molgraph

Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
https://molgraph.readthedocs.io/en/latest/
MIT License
48 stars 5 forks source link

Node level learning? #24

Closed vcanogil closed 5 months ago

vcanogil commented 7 months ago

Is it possible to do node level learning with molgraph?

akensert commented 7 months ago

Hi @vcanogil, yes you can :) Just exclude readout and add labels (y) corresponding to each node (y.shape[0] = x.node_feature.shape[0])

github-actions[bot] commented 6 months ago

This issue is stale because it has been open for 30 days with no activity.

github-actions[bot] commented 5 months ago

This issue was closed because it has been inactive for 14 days since being marked as stale.