Xingang Peng
10 papers · 2022–2025 · 3 conferences · across top CS/AI conferences
Achievements
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π£ Hot Topic Early Bird π Interdisciplinary Bridge π§ Keyword Pioneer π Renaissance Researcher (5) πΊοΈ Taxonomy Completionist (15)
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Conference Polyglot
(3)
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Cross-Pollinator
(10)
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Triple Crown
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Century Club
(10)
Conferences
ICML (4)
ICLR (3)
NIPS (3)
Top co-authors
Keywords
drug design
(4)
molecular generation
(4)
graph neural network
(3)
diffusion model
(3)
generative model
(3)
molecule generation
(2)
antibody design
(1)
equivariant neural network
(1)
protein structure
(1)
diffusion probabilistic model
(1)
dual-target drug
(1)
structure-based drug design
(1)
protein-ligand complex
(1)
chemical property
(1)
3d molecule generation
(1)
atom-bond consistency
(1)
protein pocket
(1)
equivariant network
(1)
molecular sampling
(1)
protein-ligand binding
(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
NIPS 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
NIPS 2023
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
ICML 2023
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
ICML 2022
Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures
NIPS 2022
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
ICML 2022