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Quietpeng / TransGNN_DTA

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Drug-target affinity prediction · TransGNN combines Transformer and GNN for DAVIS/KIBA regression, with PyTorch training and preprocessing scripts.

machine-learning bioinformatics research deep-learning neural-network cheminformatics regression computational-biology pytorch transformer drug-discovery kiba davis dta graph-neural-network binding-affinity molecular-representation drug-target-affinity protein-ligand sequence-model
  • Updated Nov 1, 2026
  • Python

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