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.
8.3
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0
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AI & LLM
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Exceptional computational chemistry skill with comprehensive coverage of quantum chemistry workflows. The description clearly identifies when to use Rowan (pKa, docking, cofolding, DFT calculations), and SKILL.md provides complete working examples for all major workflows with proper error handling. Structure is excellent - concise overview with well-organized reference files for API details, workflow types, and results interpretation. The skill is highly novel as it provides cloud-based quantum chemistry capabilities that would otherwise require expensive local clusters and expertise across multiple packages. Minor room for improvement in cross-referencing between main examples and advanced parameters in reference files, but overall this is production-ready documentation that enables a CLI agent to execute complex computational chemistry tasks autonomously.
K-Dense-AI
Skill Author
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