drug discovery

Fast Direct: Query-Efficient Online Black-box Guidance for Diffusion-model Target Generation ICLR 2025 FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction EMNLP 2025 Generative Flow Networks for Lead Optimization in Drug Design (Student Abstract) AAAI 2025 Generative Flows on Synthetic Pathway for Drug Design ICLR 2025 GraPPI: A Retrieve-Divide-Solve GraphRAG Framework for Large-scale Protein-protein Interaction Exploration NAACL 2025 How Aligned Are Unimodal Language and Graph Encodings of Chemical Molecules? IJCNLP 2025 How to Make Large Language Models Generate 100% Valid Molecules? EMNLP 2025 InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery COLING 2025 InversionGNN: A Dual Path Network for Multi-Property Molecular Optimization ICLR 2025 Learning Cross-Domain Representations for Transferable Drug Perturbations on Single-Cell Transcriptional Responses AAAI 2025 Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation AAAI 2025 LIDDIA: Language-based Intelligent Drug Discovery Agent EMNLP 2025 M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity AAAI 2025 MADD: Multi-Agent Drug Discovery Orchestra EMNLP 2025 MorphoDiff: Cellular Morphology Painting with Diffusion Models ICLR 2025 MuCoS: Efficient Drug–Target Discovery via Multi-Context-Aware Sampling in Knowledge Graphs ACL 2025 nach0-pc: Multi-task Language Model with Molecular Point Cloud Encoder AAAI 2025 PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching ICLR 2025 Rethinking the generalization of drug target affinity prediction algorithms via similarity aware evaluation ICLR 2025 Revisiting Deep Archetypal Analysis for Phenotype Discovery in High Content Imaging WACV 2025 Synergy of GFlowNet and Protein Language Model Makes a Diverse Antibody Designer AAAI 2025 The CausalBench challenge: A machine learning contest for gene network inference from single-cell perturbation data CLeaR 2025 Training Text-to-Molecule Models with Context-Aware Tokenization EMNLP 2025 UniGEM: A Unified Approach to Generation and Property Prediction for Molecules ICLR 2025 When do GFlowNets learn the right distribution? ICLR 2025