MTPNet conditions molecular graph representations on receptor protein and pocket features, improving activity cliff prediction across 30 MoleculeACE targets.
Proteinbert: a uni- versal deep-learning model of protein sequence and func- tion.Bioinformatics, 38(8):2102–2110,
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MTPNet: Multi-Grained Target Perception for Unified Activity Cliff Prediction
MTPNet conditions molecular graph representations on receptor protein and pocket features, improving activity cliff prediction across 30 MoleculeACE targets.