conftrace_

protein structure

59 papers

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Co-occurring keywords

graph neural network (3962) antibody design (15) protein language model (40) generative model (2892) molecular generation (78) equivariant neural network (75) drug discovery (119) diffusion model (3751) protein design (32) protein structure prediction (26)

Papers

Dynamic Geometric Equivariant Network for Full-Atom Antibody Design AAAI 2026
Full-Atom Peptide Design via Riemannian–Euclidean Bayesian Flow Networks AAAI 2026
S²Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening AAAI 2026
dyAb: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigen AAAI 2025
FoldToken: Learning Protein Language via Vector Quantization and Beyond AAAI 2025
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction EMNLP 2025
HeMeNet: Heterogeneous Multichannel Equivariant Network for Protein Multi-task Learning AAAI 2025
R-DTI: Drug Target Interaction Prediction Based on Second-Order Relevance Exploration AAAI 2025
Relation-Aware Equivariant Graph Networks for Epitope-Unknown Antibody Design and Specificity Optimization AAAI 2025
M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity AAAI 2025
GLProtein: Global-and-Local Structure Aware Protein Representation Learning EMNLP 2025
Unsupervised Identification of Protein Compositions and Conformations via Implicit Content-Transformation Disentanglement ICCV 2025
LM2Protein: A Structure-to-Token Protein Large Language Model EMNLP 2025
Foundation Model for Biomedical Graphs: Integrating Knowledge Graphs and Protein Structures to Large Language Models ACL 2024
PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction AAAI 2024
Multi-Scale Representation Learning for Protein Fitness Prediction NIPS 2024
Enhancing Protein Mutation Effect Prediction through a Retrieval-Augmented Framework NIPS 2024
Towards Stable Representations for Protein Interface Prediction NIPS 2024
Full-Atom Peptide Design with Geometric Latent Diffusion NIPS 2024
Improving PTM Site Prediction by Coupling of Multi-Granularity Structure and Multi-Scale Sequence Representation AAAI 2024
Cross-Gate MLP with Protein Complex Invariant Embedding Is a One-Shot Antibody Designer AAAI 2024
Generating Highly Designable Proteins with Geometric Algebra Flow Matching NIPS 2024
Mixture of neural fields for heterogeneous reconstruction in cryo-EM NIPS 2024
ProSST: Protein Language Modeling with Quantized Structure and Disentangled Attention NIPS 2024
Antigen-Specific Antibody Design via Direct Energy-based Preference Optimization NIPS 2024