rowan
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 compu
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About rowan
Rowan is a cloud-based quantum chemistry platform designed to streamline computational chemistry workflows through a user-friendly Python API. It addresses the challenges faced by researchers and scientists in performing complex molecular simulations without the need for local computational resources or expertise in various quantum chemistry software. By leveraging cloud capabilities, Rowan allows users to focus on their research without the hassles of installation and maintenance of local computing environments.
FAQ
What types of calculations can Rowan perform?
Rowan can perform pKa predictions, geometry optimizations, conformer searches, protein-ligand docking, and AI protein cofolding.
Is an API key required for using Rowan?
Yes, Rowan requires a proprietary API key for authentication.
What programming language is used with Rowan?
Rowan provides a Python API for accessing its features and workflows.
Can I run Rowan on a local machine?
No, Rowan is a cloud-based platform and does not require any local setup.
What resources does Rowan provide for molecular simulations?
Rowan provides cloud compute resources with automatic scaling for various computational chemistry tasks.
Install rowan
Quick Setup:
- Copy the skill folder to
.claude/skills/ - Claude will automatically detect and use the skill
Repository
K-Dense-AI/claude-scientific-skills