Agens rowan

skill_id: rowan name: rowan description: Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure. version: 1.0.0 author: Rowan Science license: Proprietary (API key required) tags:

• scientific-agent-skills
• rowan tools: [] permissions: network: true filesystem: false shell: false agents:
• executor_agent enabled: true source: scientific-agent-skills entrypoint: entry.py readme: README.md input_schema: {} output_schema: type: object metadata: upstream_repo: K-Dense-AI/scientific-agent-skills upstream_skill: rowan upstream_path: scientific-skills/rowan/SKILL.md upstream_frontmatter: name: rowan description: Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure. license: Proprietary (API key required) compatibility: Python 3.12+, API key required metadata: skill-author: Rowan Science trigger-keywords: - pKa prediction - molecular docking - conformer search - chemistry workflow - drug discovery - SMILES - protein structure - batch molecular modeling - cloud chemistry