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Updated: Jun 24, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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WEDAP:一个Python包,用于简化分子模拟数据的精简绘图

Darian T Yang, Lillian T Chong

    bioRxiv : the preprint server for biology
    |June 3, 2024
    PubMed
    概括

    WEDAP是一个新的Python包,简化了分析分子动力学 (MD) 模拟数据. 它有助于可视化传统和加权集团 (WE) 路径采样模拟的进展,使复杂的数据可访问.

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