概要
Rowan is a comprehensive computational chemistry skill that empowers researchers and developers to perform complex molecular simulations and property predictions without local compute clusters. It provides programmatic access to state-of-the-art methods like DFT, semiempirical models, and AI-powered protein cofolding (Chai-1/Boltz). By integrating directly with Claude, it enables automated drug discovery pipelines, accurate pKa predictions, and detailed molecular geometry optimizations, making high-level quantum chemistry accessible through simple Python scripts and cloud-based automation.
