Shuangjia Zheng
10 papers · 2020–2026 · 5 venues · across top CS/AI venues
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Achievements
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π Interdisciplinary Bridge Β· Bronze π Conference Polyglot Β· Silver π Academic Marathon Β· Sprint πΊοΈ Taxonomy Completionist (18) π£ Hot Topic Early Bird
π
Century Club Β· Bronze
ποΈ
Keyword Collector
(52)
Venues
Top co-authors
Research topics
Keywords
graph neural network
(5)
molecular graph
(3)
protein design
(2)
contrastive learning
(2)
representation learning
(2)
message passing
(2)
knowledge graph embedding
(1)
relation reasoning
(1)
posterior sampling
(1)
bayesian optimization
(1)
sequence optimization
(1)
diffusion model
(1)
multimodal learning
(1)
drug discovery
(1)
drug design
(1)
molecular dynamics
(1)
machine learning
(1)
retrieval-augmented generation
(1)
antibody design
(1)
uncertainty quantification
(1)
Papers
Efficient Protein Optimization via Structure-aware Hamiltonian Dynamics
AAAI 2026
Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery
CVPR 2025
Retrieval Augmented Diffusion Model for Structure-informed Antibody Design and Optimization
ICLR 2025
ReactZyme: A Benchmark for Enzyme-Reaction Prediction
NeurIPS 2024
Communicative Subgraph Representation Learning for Multi-Relational Inductive Drug-Gene Interaction Prediction
IJCAI 2022
TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction
NeurIPS 2022
Communicative Message Passing for Inductive Relation Reasoning
AAAI 2021
Learning Attributed Graph Representation with Communicative Message Passing Transformer
IJCAI 2021
Communicative Representation Learning on Attributed Molecular Graphs
IJCAI 2020
RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist
NeurIPS 2020