home/categories/scientific-computing/golab-ai-huntianling-opencode-skills-simulation-property-td-skill-md
scientific-computingresearch
simulation-property-td
模拟计算液相的热传导系数(thermal conductivity)，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
maintainer
golab-ai
Atualizado 3/23/2026
Estrelas
21
Forks
3
quick start
Installation and usage
模拟计算液相的热传导系数(thermal conductivity)，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
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use simulation-property-td