Xingang Peng
10 papers · 2022–2025 · 3 venues · across top CS/AI venues
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Achievements
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π Interdisciplinary Bridge Β· Silver π Conference Polyglot Β· Bronze πΊοΈ Taxonomy Completionist (17) π£ Hot Topic Early Bird π Triple Crown
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Century Club Β· Bronze
Venues
Top co-authors
Research topics
Deep Learning
(8)
Machine Learning
(7)
Models
(7)
Architectures
(4)
Artificial Intelligence
(3)
Interdisciplinary
(3)
Core Methods
(3)
Science
(3)
Application Areas
(2)
Learning Paradigms
(2)
Learning Types Β· Deep Learning
(2)
Healthcare & Medicine
(1)
Core AI
(1)
Learning Types Β· Machine Learning
(1)
Optimization & Theory
(1)
Keywords
diffusion model
(5)
drug design
(5)
molecule generation
(4)
graph neural network
(4)
molecular generation
(4)
generative model
(3)
equivariant network
(2)
protein structure
(1)
antibody design
(1)
molecular graph
(1)
equivariant learning
(1)
equivariant neural network
(1)
message passing neural network
(1)
diffusion probabilistic model
(1)
variational autoencoder
(1)
molecular property prediction
(1)
protein-ligand complex
(1)
structure-based drug design
(1)
dual-target drug
(1)
molecular design
(1)
Papers
Geometric Representation Condition Improves Equivariant Molecule Generation
ICML 2025
Group Ligands Docking to Protein Pockets
ICLR 2025
Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
NeurIPS 2024
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction
ICLR 2023
Boosting the Cycle Counting Power of Graph Neural Networks with I$^2$-GNNs
ICLR 2023
LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion
NeurIPS 2023
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
ICML 2023
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
ICML 2022
Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures
NeurIPS 2022
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
ICML 2022