Add flag to skip per-node projection for torch models.#55
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cfifty wants to merge 1 commit intomicrosoft:mainfrom
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Add flag to skip per-node projection for torch models.#55cfifty wants to merge 1 commit intomicrosoft:mainfrom
cfifty wants to merge 1 commit intomicrosoft:mainfrom
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megstanley
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Mar 2, 2023
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Thanks for the review! Please consider merging; I'm seeing an "Only those with to this repository can merge pull requests." message when trying to merge. |
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Add a flag to optionally skip the node projection in GNN models.
This enables researchers to use pre-trained node embeddings rather than learning node embeddings on the FS-Mol dataset.
To use pre-trained embeddings, simply convert the FS-Mol dataset field MoleculeDatapoint.graph.node_features to the pre-trained embedding of size equal to the model's internal node representation dimension.