alterlab-rowan
CommunityOrchestrate cloud quantum chemistry workflows.
AuthorAlterLab-IEU
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Rowan provides a cloud-based interface to run complex quantum chemistry workflows without local compute infrastructure, enabling scalable, programmatic access from Python.
Core Features & Use Cases
- Cloud compute orchestration for pKa prediction, conformer searches, geometry optimizations, protein-ligand docking, and AI-assisted protein cofolding.
- Unified Python API to submit, monitor, and retrieve results, with folder/project organization and batch processing for large studies.
- Real-world scenario: a chemist wants to run a hundred pKa calculations and a docking study against a target, track credits, and export results to CSV.
Quick Start
Submit a pKa workflow for a molecule using the Rowan API and fetch the results.
Dependency Matrix
Required Modules
None requiredComponents
references
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: alterlab-rowan Download link: https://github.com/AlterLab-IEU/AlterLab-Academic-Skills/archive/main.zip#alterlab-rowan Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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