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hspark1212 / MOFTransformer

Universal Transfer Learning in Porous Materials, including MOFs.
https://hspark1212.github.io/MOFTransformer/
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Baseline Model #138

Closed hongshuh closed 1 year ago

hongshuh commented 1 year ago

Hi, I wonder have you tried more advanced GNN models instead of CGCNN, for example ALIGNN and coGN

hspark1212 commented 1 year ago

Hi, @hongshuh, Thank you for your comment. While we do have plans to explore other graph neural networks in the near future, such as MEGNet and ALIGNN, we have not yet experimented with them. We believe that these alternatives can bring further improvements, particularly in predicting properties related to local features like bandgap.