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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

GraphTransformer may explode #21

Closed thegodone closed 1 year ago

thegodone commented 1 year ago

Something GT provides very very bad results on ESOL and I don't know why.

akensert commented 1 year ago

@thegodone Is it still the case? If yes, could you provide me some more information. It worked okay for me (though improvements could possibly be made!).

thegodone commented 1 year ago

looks ok now