Tianfan Fu

PoseX: AI Defeats Physics-based Methods on Protein Ligand Cross-Docking

RiboPO: Preference Optimization for Structure- and Stability-Aware RNA Design

Chem-R: Learning to Reason as a Chemist

SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy

Reasoning BO: Enhancing Bayesian Optimization with the Long-Context Reasoning Power of LLMs

MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation

RadDiff: Retrieval-Augmented Denoising Diffusion for Protein Inverse Folding

From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?

3D Interaction Geometric Pre-training for Molecular Relational Learning

GraphPINE: Graph importance propagation Neural Network for interpretable drug response prediction

3D Interaction Geometric Pre-training for Molecular Relational Learning

DrugAgent: Multi-Agent Large Language Model-Based Reasoning for Drug-Target Interaction Prediction and Repurposing

Retrieval-Reasoning Large Language Model-based Synthetic Clinical Trial Generation