Cloud Computing

Rowan is a comprehensive skill for computational chemistry that provides cloud-based access to quantum chemistry workflows including pKa prediction, geometry optimization, conformer searching, protein-ligand docking, and AI-powered protein cofolding. It wraps the rowan-python and stjames libraries to enable molecular property calculations without requiring local computational resources.

Modal is a documentation skill that guides users in running Python code on Modal's serverless cloud platform. It covers GPU-accelerated computing, autoscaling, persistent storage with Volumes, scheduled jobs, and web endpoints for ML workloads and batch processing.