HCLBind applies hierarchical contrastive learning with domain-gated graph attention and cross-modal attention to predict binding affinities in multi-domain proteins via self-supervised pre-training.
In: International Conference on Learning Representations (2022)
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Hierarchical Contrastive Learning for Multi-Domain Protein-Ligand Binding
HCLBind applies hierarchical contrastive learning with domain-gated graph attention and cross-modal attention to predict binding affinities in multi-domain proteins via self-supervised pre-training.