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vijaydwivedi75 / lrgb

Long Range Graph Benchmark, NeurIPS 2022 Track on D&B
MIT License
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Identifier in peptides dataset #8

Closed HB-pencil-zero closed 1 year ago

HB-pencil-zero commented 1 year ago

Hello, I found that there are identifier attributes in the peptide dataset, but I don't seem to find them described in the paper, could you please tell me what they are? Best regards.

HB-pencil-zero commented 1 year ago

Besides that, the peptides dataset provides a map of peptide chains and atoms, but I am not sure if I can get the amino acid linkages from it. What I mean is that it seems difficult to tell which amino acid the atom belongs to just from the atom map and the amino acid sequence.

HB-pencil-zero commented 1 year ago

Another thing is the experimental part, where I noticed "Each experiment was run with 4 different seeds. All MP-GNN models have 5 layers, while the Transformer-based models have 4 layers". I don't particularly understand what reason make this difference.