Jianzhu Ma

Designing Cyclic Peptides via Harmonic SDE with Atom-Bond Modeling ICML 2025 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 Morpheus: A Neural-driven Animatronic Face with Hybrid Actuation and Diverse Emotion Control RSS 2025 Safety-Polarized and Prioritized Reinforcement Learning ICML 2025 TFG-Flow: Training-free Guidance in Multimodal Generative Flow ICLR 2025 UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design ICML 2025 Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints ICML 2025 Enhancing Protein Mutation Effect Prediction through a Retrieval-Augmented Framework NeurIPS 2024 FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames ICML 2024 Full-Atom Peptide Design based on Multi-modal Flow Matching ICML 2024 InstaFlow: One Step is Enough for High-Quality Diffusion-Based Text-to-Image Generation ICLR 2024 Projecting Molecules into Synthesizable Chemical Spaces ICML 2024 Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design NeurIPS 2024 Selecting Large Language Model to Fine-tune via Rectified Scaling Law ICML 2024 TFG: Unified Training-Free Guidance for Diffusion Models 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 DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design ICML 2023 Learning Sparse Group Models Through Boolean Relaxation 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 ProBio: A Protocol-guided Multimodal Dataset for Molecular Biology Lab NeurIPS 2023 Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction ICLR 2023 xTrimoGene: An Efficient and Scalable Representation Learner for Single-Cell RNA-Seq Data NeurIPS 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 Efficient Meta Reinforcement Learning for Preference-based Fast Adaptation NeurIPS 2022 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 Proximal Exploration for Model-guided Protein Sequence Design ICML 2022 A 3D Generative Model for Structure-Based Drug Design NeurIPS 2021 Fast Projection onto the Capped Simplex with Applications to Sparse Regression in Bioinformatics NeurIPS 2021 PALM: Probabilistic area loss Minimization for Protein Sequence Alignment UAI 2021 XOR-CD: Linearly Convergent Constrained Structure Generation ICML 2021 Estimating the Partition Function of Graphical Models Using Langevin Importance Sampling AISTATS 2013