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Jiaqi Guan

14 papers · 2018–2025 · 5 venues · across top CS/AI venues

Authors are matched by name, so researchers who share a name ("Yang Liu", "Wei Wang") appear as a single profile and their paper counts, venues and achievements are combined. How identity is handled.

Achievements

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+6 more ↓ πŸ—ΊοΈ Taxonomy Completionist (22) πŸƒ Academic Marathon Β· Sprint 🌍 Conference Polyglot Β· Silver πŸŒ‰ Interdisciplinary Bridge Β· Silver 🐣 Hot Topic Early Bird
πŸ‘‘ Triple Crown 🀝 Dynamic Duo (12) 🧬 Topic Evolution πŸ’Ž Century Club Β· Bronze πŸ—ƒοΈ Keyword Collector (71) πŸ”₯ Unstoppable Β· Bronze

Venues

ICLR (5) ICML (3) NeurIPS (3) CVPR (2) IJCAI (1)

Top co-authors

Jianzhu Ma (12) Jian Peng (10) Xingang Peng (6) Qiang Liu (5) Shitong Luo (4) Xiangxin Zhou (4) Jiahan Li (3) Liang Wang (3) Chaoran Cheng (2) Wesley Wei Qian (2)

Research topics

Deep Learning (11) Models (10) Machine Learning (8) Artificial Intelligence (6) Healthcare & Medicine (3) Interdisciplinary (3) Application Areas (3) Architectures (3) Core AI (3) Core Methods (3) Learning Paradigms (3) Learning Types (3) Research (3) Science (3) Computer Vision (2)

Keywords

molecular generation (5) drug design (5) diffusion model (4) generative model (4) molecule generation (4) graph neural network (3) structure-based drug design (3) equivariant network (3) transfer learning (2) protein-ligand complex (2) energy minimization (1) message passing (1) amortized inference (1) no-regret learning (1) energy efficiency (1) 3d vision (1) zero-shot learning (1) geometric deep learning (1) molecular dynamics (1) activity forecasting (1)

Papers

Group Ligands Docking to Protein Pockets ICLR 2025 Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension ICLR 2025 Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows 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 DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design ICML 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 Energy-Inspired Molecular Conformation Optimization ICLR 2022 Equivariant Point Cloud Analysis via Learning Orientations for Message Passing CVPR 2022 Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets ICML 2022 A 3D Generative Model for Structure-Based Drug Design NeurIPS 2021 Generative Hybrid Representations for Activity Forecasting With No-Regret Learning CVPR 2020 Energy-efficient Amortized Inference with Cascaded Deep Classifiers IJCAI 2018