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fix: RuntimeError if batch has only invalid mols #84

Merged
merged 2 commits into from
Apr 23, 2022
Merged

fix: RuntimeError if batch has only invalid mols #84

merged 2 commits into from
Apr 23, 2022

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jannisborn
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Fixes #83

For the future, I think that for the property optimization, it would be even better if max_resample can be controlled by the user.
Maybe having an optional task_kwargs that defaults to {} could be passed to GCPNGeneration and specify hyperparameters for the property optimization.

@KiddoZhu
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That sounds like a good idea. We will add that as a part of property optimization.

@KiddoZhu KiddoZhu merged commit 26f15f6 into DeepGraphLearning:master Apr 23, 2022
@jannisborn jannisborn deleted the fix_empty_batch branch April 24, 2022 15:24
@jannisborn
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Hi @KiddoZhu
do you plan to make a new release with the bugfixed code? It would be nice to have a functional stable release.

@KiddoZhu
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Yes. We will get a new release soon, probably in one or two weeks.

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Runtime Error in graph.py
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