conftrace_

drug discovery

119 papers

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Co-occurring keywords

graph neural network (3962) molecular generation (78) molecular representation (64) molecule generation (58) large language model (13587) contrastive learning (4032) diffusion model (3751) virtual screening (11) molecular property prediction (84) language model (4599)

Papers

FuseMine: Robust Multi-Modal Compound-Protein Interaction Prediction via Differential Attention Feature Mining AAAI 2026
PharmaQA: Prompt-Based Molecular Representation Learning via Pharmacophore-Oriented Question Answering AAAI 2026
PepCCD: A Contrastive Conditioned Diffusion Framework for Target-Specific Peptide Generation AAAI 2026
MolMem: Memory-Augmented Agentic Reinforcement Learning for Sample-Efficient Molecular Optimization ACL 2026
Expert-Inspired Multi-Agent Coordination for Multi-Objective Molecular Optimization AAAI 2026
Sequence-Free for Compound Protein Interaction Prediction AAAI 2026
Hierarchical Structure-Property Alignment for Data-Efficient Molecular Generation and Editing AAAI 2026
Distributional Priors Guided Diffusion for Generating 3D Molecules in Low Data Regimes AAAI 2026
Machine Learning Models Assisting the Development of Antibody Therapeutics and Vaccines – an Emerging Trend AAAI 2026
S²Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening AAAI 2026
LLM-Based Agent for Competitive Landscape Mapping in Drug Asset Due Diligence AAAI 2026
RAG-Enhanced Collaborative LLM Agents for Drug Discovery AAAI 2026
RAGPPI: Retrieval-Augmented Generation Benchmark for Protein–Protein Interactions in Drug Discovery EACL 2026
How to Make Large Language Models Generate 100% Valid Molecules? EMNLP 2025
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning IJCAI 2025
DrugHash: Hashing Based Contrastive Learning for Virtual Screening AAAI 2025
Automatic Annotation Augmentation Boosts Translation between Molecules and Natural Language NAACL 2025
Assay2Mol: Large Language Model-based Drug Design Using BioAssay Context EMNLP 2025
Accelerating Antibiotic Discovery with Large Language Models and Knowledge Graphs ACL 2025
GraPPI: A Retrieve-Divide-Solve GraphRAG Framework for Large-scale Protein-protein Interaction Exploration NAACL 2025
nach0-pc: Multi-task Language Model with Molecular Point Cloud Encoder AAAI 2025
Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation AAAI 2025
Generative Flow Networks for Lead Optimization in Drug Design (Student Abstract) AAAI 2025
InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery COLING 2025
LIDDIA: Language-based Intelligent Drug Discovery Agent EMNLP 2025