train and HPO python scripts added for GFM testcase

ORNL / HydraGNN

Distributed PyTorch implementation of multi-headed graph convolutional neural networks

BSD 3-Clause "New" or "Revised" License

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Closed allaffa closed 6 months ago

allaffa commented 6 months ago

Removed unused imports from QM9 example
Introduced iterative objects that spans all output heads in config dictionary to change num_headlayers and dim_headlayers consistently across all heads (both for graph and node types)
Introduced example that combines multidatasets for GFM and HPO