NeurIPS 2025PastGenomics
NeurIPS 2025 Workshop on AI Virtual Cells and Instruments: A New Era in Drug Discovery and Development
AI4D3 2025
- Submission deadline
- Sep 8, 2025, 11:59 UTCimported from OpenReview — check the website for extensions
- Submission portal
- OpenReview
- Notes
- Topics were auto-suggested and may be imprecise — edits welcome.
Accepted papers (41)
Fetched from OpenReview (v2) on 2026-06-10.
A Scalable Latent Diffusion Model for Single-Cell Gene Expression Data
Active Causal Hypothesis Testing for AI-Guided Drug Target Discovery
BEACON: Bayesian Contrastive Learning for Single-Cell Gene Regulatory Inference
Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning
Chem42∗: a Family of chemical Language Models for Target-aware Ligand Generation
Constrained Molecular Generation with Discrete Diffusion for Drug Discovery
Context-aware geometric deep learning for RNA sequence design
Cross-Species Graph Neural Network for Translating Animal Disease Resistance to Human Drug Targets
D-Flow: Multi-modality Flow Matching for D-peptide Design
DiffDAG: Diffusion DAG Models for modeling Gene Perturbations
Domain Knowledge Infused Conditional Generative Models for Accelerating Drug Discovery
Early Prediction of Overall Survival in Oncology Trials Using Tumor Dynamic Neural-ODE
FocusMR: An Attention-Based Single-Cell Mendelian Randomization Framework to Map Cellular Contexts at Candidate Genes
FragmentGPT: A Unified GPT Model for Fragment Growing, Linking, and Merging in Molecular Design
Gene42: Long-Range Genomic Foundation Model With Dense Attention
GRASP: Graph Reasoning Agents for Systems Pharmacology with Human-in-the-Loop
High-Throughput Protein Perturbation Screens with AI-Designed Degraders
HyperDiffusionFields (HyDiF): Diffusion-Guided Hypernetworks for Learning Implicit Molecular Neural Fields
ImmuneNet: Composition-Aware Quantification of Adaptive Lymphocytes in High-Grade Serous Ovarian Cancer
Improving Classification of Cell Types in Acute Myeloid Leukemia with Self-guided Masking Technique
Label-free biochemical imaging of neural organoids via deep learning-enhanced Raman microspectroscopy
Learning from B Cell Evolution: Adaptive Multi-Expert Diffusion for Antibody Design via Online Optimization
LLM-Integrated Representative Path Selection for Context-Aware Drug Repurposing on Biomedical Knowledge Graphs
LLMs as Virtual Instruments for Drug Formulation
MoAgent: A Hypothesis-Driven Multi-Agent Framework for Drug Mechanism of Action Discovery
Mol-SGCL: Molecular Substructure-Guided Contrastive Learning for Out-of-Distribution Generalization
Monte Carlo Tree Diffusion with Multiple Experts for Protein Design
OligoGym: Curated Datasets and Benchmarks for Oligonucleotide Drug Discovery
PatchDNA: A Flexible and Biologically-Informed Alternative to Tokenization for DNA
Patient-level prediction from single-cell data using attention-based multiple instance learning with regulatory priors
Perturbation-aware representation learning for in vivo genetic screens
Predicting cellular responses to perturbation across diverse contexts with State
Probing Functional Plasticity in Peptide–Protein Interaction with Minimal Data
Prot42 : a Novel Family of Protein Language Models for Target-aware Protein Binder Generation
rbio1 - training scientific reasoning LLMs with biological world models as soft verifiers
Refine Drugs, Don’t Complete Them: Uniform-Source Discrete Flows for Fragment-Based Drug Discovery
SigSpace: an LLM-based agent for drug response signature interpretation
Smiles2Dock: a large-scale dataset for ML-based docking score prediction using AlphaFold structures
Toward a Coherent Virtual Cell Model: Probing Biological World-Model Coherence in Transcriptomic Foundation Models
Virtual Cells as Causal World Models: A Perspective on Evaluation
Why Pool When You Can Flow? Active Learning with GFlowNets