Discover tools computational chemistry skills, compare source repositories and read the instructions for each workflow.
Creates and maintains MILP optimization verification reports for Green Corridor Ammonia Bunkering project. Use this skill when the user asks to generate verification documents, update verification chapters, com...
Generate AIAG-format Control Plans linked to PFMEAs with proper inspection methods, frequencies, and reaction plans. Supports Prototype/Pre-launch/Production phases. USE WHEN user says 'control plan', 'CP', 'in...
Generate AIAG-VDA compliant Process FMEAs with proper Severity/Occurrence/Detection ratings, RPN calculations, and countermeasure recommendations. Covers MNMUK departments (Machine Shop, Damper, LVA, FML). USE...
Align training to regulatory compliance requirements including OSHA, FDA, HIPAA, SOX, GDPR, and industry-specific regulations. Verify compliance coverage and identify gaps. Use for mandated compliance training....
为不同分子体系（蛋白质、脂质膜、有机小分子、碳水化合物等）选择合适的力场和水模型。使用此技能来获取 MD 模拟中的力场推荐，包括蛋白质、核酸、脂质、有机小分子、碳水化合物、无机离子等体系。当用户需要为特定体系选择力...
This skill should be used when the user asks to "create a packmol input", "pack molecules with packmol", "solvate a protein", "build an initial configuration", "setup molecular dynamics", or discusses molecular...
蛋白质 MD 模拟的高级分析，包括周期性边界条件校正、动态互相关矩阵（DCCM）、残基距离接触矩阵（RDCM）、主成分分析（PCA）和自由能形貌图（FEL）。使用此技能来指导蛋白质模拟后的数据分析流程。当用户需要进行蛋白质 MD 分...
Generator of Genomic Triggers and Concepts (Cornelius v2.0).
Rete Logica Adattiva Autopoietica (ALAN v14.2).
DuIvyTools 是一个用于可视化 GROMACS 的 xvg 和 xpm 文件的命令行工具，包含 30+ 个命令。使用此技能来处理 GROMACS 模拟结果文件的可视化和数据处理。当用户需要可视化 xvg/xpm 文件、生成 mdp 模板、处理索引文件或执行其他...
制药资讯聚合系统 - 抓取、分析、生成制药行业每日新闻简报。Use when user asks for 制药资讯, pharma news, 制药日报, 药品新闻, 医药资讯, or wants pharmaceutical industry news aggregation.
Pre-Phase research for new simple_* libraries. 7-step investigation process before design. Use when starting a new library idea. Produces research output for /eiffel.spec.
Provides a deep understanding of chemistry through a technical-philosophical approach, for research and education tasks. In research tasks, you will use technical and logical understanding of the subtopics of t...
CEBMエビデンスレベル分類用の新しいグレーダーモジュールを生成します。「新しい研究タイプのグレーダーを作成して」「RCT検出ロジックを追加して」「エビデンス分類を拡張して」などの依頼時に使用してください。
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