Fixes #4: Added boilerplate code for gnnNAS #5
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- added src/models.py to include the MPNN model class that which will be utilized for all benchmarking experiments - added src/util.py to include helper functions for training, eval, and record metrics - added src/dataset.py to include helper functions for loading Physical chemistry datasets from MoleculeNet - Updated the README.md Signed-off-by: Akhil Akella <aakella@swing.lcrc.anl.gov>
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utilized for all benchmarking experiments
record metrics
chemistry datasets from MoleculeNet
Signed-off-by: Akhil Akella aakella@swing.lcrc.anl.gov