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awslabs / dgl-lifesci

Python package for graph neural networks in chemistry and biology
Apache License 2.0
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PotentialNet model and graph constructor #77

Closed cyhFlight closed 3 years ago

cyhFlight commented 4 years ago

Issue #, if available:

Description of changes:

PotentialNet model and graph constructor

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mufeili commented 4 years ago

Could you update to DGL 0.5 and make your code compatible with that?

mufeili commented 3 years ago

Missing the unit tests for the model and utility functions.