drug discovery

A benchmark for prediction of transcriptomic responses to chemical perturbations across cell types NeurIPS 2024 Association Pattern-aware Fusion for Biological Entity Relationship Prediction NeurIPS 2024 BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning ACL 2024 ChatMol Copilot: An Agent for Molecular Modeling and Computation Powered by LLMs ACL 2024 Conditional Synthesis of 3D Molecules with Time Correction Sampler NeurIPS 2024 Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design ICML 2024 Conversational Drug Editing Using Retrieval and Domain Feedback ICLR 2024 DiSCO: Diffusion Schrödinger Bridge for Molecular Conformer Optimization AAAI 2024 Efficient Correlated Subgraph Searches for AI-powered Drug Discovery IJCAI 2024 Enhancing Cross Text-Molecule Learning by Self-Augmentation ACL 2024 Enhancing Neural Subset Selection: Integrating Background Information into Set Representations ICLR 2024 FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational Learning NeurIPS 2024 Generating Novel Leads for Drug Discovery Using LLMs with Logical Feedback AAAI 2024 Genetic-guided GFlowNets for Sample Efficient Molecular Optimization NeurIPS 2024 GxVAEs: Two Joint VAEs Generate Hit Molecules from Gene Expression Profiles AAAI 2024 How Molecules Impact Cells: Unlocking Contrastive PhenoMolecular Retrieval NeurIPS 2024 Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability NeurIPS 2024 Knowledge Enhanced Representation Learning for Drug Discovery AAAI 2024 MapLE: Matching Molecular Analogues Promptly with Low Computational Resources by Multi-Metrics Evaluation (Student Abstract) AAAI 2024 Molecule Generation with Fragment Retrieval Augmentation NeurIPS 2024 MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts AAAI 2024 MOTIVE: A Drug-Target Interaction Graph For Inductive Link Prediction NeurIPS 2024 Navigating Chemical Space with Latent Flows NeurIPS 2024 Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation ICLR 2024 Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel ICLR 2024