Can an AI Agent Run Your Mass Spec Pipeline? Benchmarking the PyOpenMS Skill
A reproducible 250-run study of feature detection, adduct grouping, quantification, and identification, run by an AI agent with and without the pyOpenMS skill.
14 min read
Topic
Scientific Agent Skills
4 K-Dense articles on Scientific Agent Skills — research automation, benchmarks, and case studies from the K-Dense team.
Beyond RDKit: Benchmarking the Rowan Agent Skill Against Experiment
A reproducible study of pKa, logD, tautomers, ADME, and docking run by an AI agent with the Rowan skill, measured against RDKit and experimental ground truth.
9 min readTowards Smarter Scientific Search: Exa Joins the Scientific Agent Skills Library
Exa is now integrated into K-Dense's Scientific Agent Skills library, bringing neural web search and URL extraction to AI-driven scientific research.
3 min readGPU-Accelerate Your Science: 58x Average Speedup with a Single Skill
The optimize-for-gpu skill rewrites CPU-bound Python for NVIDIA GPUs across 12 libraries in data science, ML, and simulation, with 58x average speedup.
8 min read
