3 papers
q-bio.BM2026
Expanding Protein Structure Prediction into Conformational State Space
Devlina Chakravarty, Justin J. Miller, Da Teng +9
Recent AI advances have enabled protein structure prediction at near-experimental accuracy, largely solving the problem of identifying a dominant conformation from sequence. Many p…
cs.AI2026
Agents' Last Exam
Yiyou Sun, Xinyang Han, Weichen Zhang +306
Recent AI systems have achieved strong results on a wide range of benchmarks, yet these gains have not translated into economically meaningful deployment across many professional d…
cs.LG2025
FlexiFlow: decomposable flow matching for generation of flexible molecular ensemble
Riccardo Tedoldi, Ola Engkvist, Patrick Bryant +3
Sampling useful three-dimensional molecular structures along with their most favorable conformations is a key challenge in drug discovery. Current state-of-the-art 3D de-novo desig…