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molecular representation

Papers

Showing 7180 of 168 papers

TitleStatusHype
PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry0
PACIA: Parameter-Efficient Adapter for Few-Shot Molecular Property PredictionCode0
A Comprehensive Review of Generative AI in Healthcare0
Learning Over Molecular Conformer Ensembles: Datasets and BenchmarksCode1
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information0
Uncovering Neural Scaling Laws in Molecular Representation LearningCode1
3D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation0
Geometry-aware Line Graph Transformer Pre-training for Molecular Property Prediction0
Synergistic Fusion of Graph and Transformer Features for Enhanced Molecular Property Prediction0
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations0
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