molgraph

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Cannot save model as specified in the documentation

9

The documentation proposed to either save models using `tf.saved_model` or `tf.keras`. The first approach works, but saves a model that cannot be trained further (to my understanding). The second approach...

RaphaelRobidas

Node level learning?

1

Is it possible to do node level learning with `molgraph`?

vcanogil

Parallelize training in multiple GPUs.

3

Following the notebook file, I tried to construct a DMPNN model for tox21. Training for some reason takes way longer than the pytorch implementation onn chemprop. So I tried to...

soulios