Rowan is a cloud-first computational chemistry platform exposing a Python API to automate quantum chemistry and molecular modeling workflows without local…
Rowan is a cloud-first computational chemistry platform exposing a Python API to automate quantum chemistry and molecular modeling workflows without local compute or package management. Key features include molecular property predictions (pKa, redox, solubility, ADMET‑Tox), geometry optimization and conformer searching, protein–ligand docking with AutoDock Vina, AI-powered protein cofolding (Chai‑1, Boltz), and access to DFT, semiempirical methods, and neural-network potentials. Rowan automatically allocates scalable cloud resources, queues jobs, and surfaces results in a web interface (labs.rowansci.com). Typical use cases are high-throughput virtual screening, automated property prediction in drug discovery, reproducible simulation pipelines, and integrating quantum methods into Python data pipelines. Benefits include a unified API for many quantum methods, elimination of local cluster maintenance, simple API-key authentication, and seamless scaling for production workloads.
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