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Simulation Property Ap | Skills Pool

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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

golab-ai23 estrellas23 mar 2026

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Categorías: Computación Científica

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Simulation Property Ap

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Autor: golab-ai
estrellas: 23
Actualizado: 23 mar 2026
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