home/categories/scientific-computing/golab-ai-huntianling-opencode-skills-simulation-property-ap-skill-md
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simulation-property-ap
模拟计算液相的热膨胀系数(coefficient of thermal expansion)，多分子堆积成液相盒子，在NPT系综下进行分子动力学（molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式
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golab-ai
Updated 3/23/2026
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quick start
Installation and usage
模拟计算液相的热膨胀系数(coefficient of thermal expansion)，多分子堆积成液相盒子，在NPT系综下进行分子动力学（molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式
Installation
$ install --globalskills.sh
Usage
Once installed, you can use this skill by running the following command in your terminal:
skills use simulation-property-ap