Papers
1–3 of 3Research Paper·Mar 6, 2026
Reference-guided Policy Optimization for Molecular Optimization via LLM Reasoning
Large language models (LLMs) benefit substantially from supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR) in reasoning tasks. However, these recipes perform poorly...
7.0 viability
Research Paper·Mar 6, 2026
Latent Diffusion-Based 3D Molecular Recovery from Vibrational Spectra
Infrared (IR) spectroscopy, a type of vibrational spectroscopy, is widely used for molecular structure determination and provides critical structural information for chemists. However, existing approa...
7.0 viability
Research Paper·Mar 16, 2026
LaPro-DTA: Latent Dual-View Drug Representations and Salient Protein Feature Extraction for Generalizable Drug--Target Affinity Prediction
Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/target...
7.0 viability