rowan
Rowan: Cloud-Based Quantum Chemistry Platform
Routing Boundary
Use this skill only for explicit Rowan context, including Rowan, rowan-python, labs.rowansci.com, the Rowan API, or a Rowan-specific chemistry workflow. Do not use it for generic chemistry, RDKit, PubChem, ChEMBL, docking, pKa, conformer search, quantum chemistry, molecular machine learning, Boltz, or Chai-1 unless explicit Rowan context is present.
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
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