4 papers · 1 filter
Language-Informed Flow Matching for Trend-Guided Structure-Based 3D Molecular Generation
Tianyu Gao, Zhikai Su, Jiashu Li +5
Structure-based drug design (SBDD) requires ligands that satisfy both 3D target affinity and 1D chemical validity. Existing controllable generation methods often rely on task-speci…
DiffQEC: A versatile diffusion model for quantum error correction
Tianyi Xu, Qinglong Liu, Maolin Wang +4
Quantum computers could solve problems beyond the reach of classical devices, but this potential depends on quantum error correction (QEC) to protect fragile quantum states from no…
ResearchEVO: An End-to-End Framework for Automated Scientific Discovery and Documentation
Zhe Zhao, Haibin Wen, Jiaming Ma +4
An important recurring pattern in scientific breakthroughs is a two-stage process: an initial phase of undirected experimentation that yields an unexpected finding, followed by a r…
Logos: An evolvable reasoning engine for rational molecular design
Haibin Wen, Zhe Zhao, Fanfu Wang +4
The discovery and design of functional molecules remain central challenges across chemistry,biology, and materials science. While recent advances in machine learning have accelerat…