Rowan: Cloud-Based Quantum Chemistry Platform

Overview

Rowan is a cloud-based computational chemistry platform that provides programmatic access to quantum chemistry workflows through a Python API. It enables automation of complex molecular simulations without requiring local computational resources or expertise in multiple quantum chemistry packages.

Key Capabilities:

• Molecular property prediction (pKa, redox potential, solubility, ADMET-Tox)
• Geometry optimization and conformer searching
• Protein-ligand docking with AutoDock Vina
• AI-powered protein cofolding with Chai-1 and Boltz models
• Access to DFT, semiempirical, and neural network potential methods
• Cloud compute with automatic resource allocation

Why Rowan:

• No local compute cluster required
• Unified API for dozens of computational methods
• Results viewable in web interface at labs.rowansci.com
• Automatic resource scaling