Supplement 1

https://doi.org/10.60893/figshare.jcp.28191548

data management plan

posted on 2025-02-04, 13:08 authored by Xingze Geng, Jianing Gu, Gaowu Qin, Lin-Wang Wang, Xiangying Meng

Introduction to the test dataset, model parameters, and software settings.

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DOI - Is supplement to <strong>ABFML</strong><strong>:</strong><strong> A Problem-oriented Package for</strong> <strong>R</strong><strong>apid</strong><strong>ly</strong> <strong>Creating</strong><strong>, </strong><strong>Screening</strong><strong>, and </strong><strong>Optimizing</strong> <strong>N</strong><strong>ew </strong><strong>M</strong><strong>achine </strong><strong>L</strong><strong>earning </strong><strong>F</strong><strong>orce </strong><strong>F</strong><strong>ields</strong>

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Physical sciences

Keywords

Machine learning Interatomic potentials GPU Molecular dynamics Neural Networks

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