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Substructure-Atom Cross Attention for Molecular Representation Learning
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rdkit/rdkit/blob/master/rdkit/Chem/MACCSkeys.py
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microsoft/Graphormer
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ardigen/MAT
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DeepGraphLearning/GraphLoG
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PaddlePaddle/PaddleHelix/tree/dev/apps/pretrained_compound/ChemRL/GEM
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