rowan

name	rowan
description	Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Use when tasks involve quantum chemistry calculations, molecular property prediction, DFT or semiempirical methods, neural network potentials (AIMNet2), protein-ligand binding predictions, or automated computational chemistry pipelines. Provides cloud compute resources with no local setup required.
license	Proprietary (API key required)
compatibility	API required
metadata	{"skill-author":"K-Dense Inc."}

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.